1-butyl-2-[2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxo-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-oxo-2-[3-phenyl-7-(phenylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxoethyl]sulfanyl-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-keto-ethyl]thio]-1-butyl-benzimidazole-5-sulfonamide Formula: C33H35N5O3S2 MolecularWeight: 613.7927

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3C(C4CCCC(=CC5=CC=CC=C5)C4=N3)C6=CC=CC=C6

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3C(C4CCCC(=CC5=CC=CC=C5)C4=N3)C6=CC=CC=C6

InChI

InChI=1S/C33H35N5O3S2/c1-2-3-19-37-29-18-17-26(43(34,40)41)21-28(29)35-33(37)42-22-30(39)38-32(24-13-8-5-9-14-24)27-16-10-15-25(31(27)36-38)20-23-11-6-4-7-12-23/h4-9,11-14,17-18,20-21,27,32H,2-3,10,15-16,19,22H2,1H3,(H2,34,40,41)