2-(1-butyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-1-(1-methyl-2-phenyl-indol-3-yl)ethanone

Systemtic Name: 2-(1-butyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-1-(1-methyl-2-phenyl-indol-3-yl)ethanone Openeye Name: 2-[1-butyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-1-(1-methyl-2-phenyl-indol-3-yl)ethanone CAS Name: 2-[[1-butyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]-1-(1-methyl-2-phenyl-3-indolyl)ethanone IUPAC Name: 2-(1-butyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-(1-methyl-2-phenylindol-3-yl)ethanone Traditional Name: 2-[(1-butyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]-1-(1-methyl-2-phenyl-indol-3-yl)ethanone Formula: C33H36N4O3S2 MolecularWeight: 600.79394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)C4=C(N(C5=CC=CC=C54)C)C6=CC=CC=C6

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)C4=C(N(C5=CC=CC=C54)C)C6=CC=CC=C6

InChI

InChI=1S/C33H36N4O3S2/c1-3-4-21-37-29-18-17-25(42(39,40)36-19-11-6-12-20-36)22-27(29)34-33(37)41-23-30(38)31-26-15-9-10-16-28(26)35(2)32(31)24-13-7-5-8-14-24/h5,7-10,13-18,22H,3-4,6,11-12,19-21,23H2,1-2H3