RInChI=1.00.1S/C20H27NO3S/c1-13-6-8-14(9-7-13)18(22)21-16-12-15(10-11-20(2,3)4)25-17(16)19(23)24-5/h12-14H,6-9H2,1-5H3,(H,21,22)!C6H6BrN.BrH/c7-4-6-2-1-3-8-5-6;/h1-3,5H,4H2;1H!Na.H/q+1;-1<>C26H32N2O3S/c1-18-8-10-20(11-9-18)24(29)28(17-19-7-6-14-27-16-19)22-15-21(12-13-26(2,3)4)32-23(22)25(30)31-5/h6-7,14-16,18,20H,8-11,17H2,1-5H3<>C3H7NO/c1-4(2)3-5/h3H,1-2H3/d+
RAuxInfo=1.00.1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25/E:(2,3,4)(6,7)(8,9)/rA:25CCCCCCCCCCCCCCCCCCCCNOOOS/rB:;;;;;;s6;s7;;t10;;s1s6s7;s8s9;s10d12;s12;d16;s14;s17;s2s3s4s11;s16d18;s18;d19;s5s19;s15s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8;9/rA:9CCCCCCBrNBr/rB:d1;s1;;;s2s4d5;s4;d3s5;;/rC:;;;;;;;;;!0/N:1;2/rA:2Na+H-/rB:;/rC:;;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32/E:(2,3,4)(8,9)(10,11)/rA:32CCCCCCCCCCCCCCCCCCCCCCCCCCNNOOOS/rB:;;;;;d6;;;s8;s9;;t12;s6;;;;s1s8s9;s7d16s17;s10s11;s12d15;s15;d22;s20;s23;s2s3s4s13;d14s16;s17s22s24;d24;d25;s5s25;s21s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)/rA:5CCCNO/rB:;;s1s2s3;d3;/rC:;;;;;
Long-RInChIKey=SA-FUHFF-ABWNOEXXCMPYOH-UHFFFAOYSA-N-FNHPUOJKUXFUKN-UHFFFAOYSA-N-BZKBCQXYZZXSCO-UHFFFAOYSA-N--KAURSQHVWCCEGR-UHFFFAOYSA-N--ZMXDDKWLCZADIW-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-RTHFXRGKKI-KAURSQHVWC-ZMXDDKWLCZ-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=GIAFQZLBCXXRCGUGW-NUHFFFADPSCTJSA