4-[1-(cyclohexylmethyl)benzimidazol-5-yl]-N-[3-nitro-4-[(1-oxidanyl-3-phenylsulfanyl-propan-2-yl)amino]phenyl]sulfonyl-benzamide

Systemtic Name: 4-[1-(cyclohexylmethyl)benzimidazol-5-yl]-N-[3-nitro-4-[(1-oxidanyl-3-phenylsulfanyl-propan-2-yl)amino]phenyl]sulfonyl-benzamide Openeye Name: 4-[1-(cyclohexylmethyl)benzimidazol-5-yl]-N-[4-[[1-(hydroxymethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-[1-(cyclohexylmethyl)-5-benzimidazolyl]-N-[4-[[1-hydroxy-3-(phenylthio)propan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-[1-(cyclohexylmethyl)benzimidazol-5-yl]-N-[4-[(1-hydroxy-3-phenylsulfanylpropan-2-yl)amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-[1-(cyclohexylmethyl)benzimidazol-5-yl]-N-[4-[[1-methylol-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C36H37N5O6S2 MolecularWeight: 699.83888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C=NC3=C2C=CC(=C3)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NC(CO)CSC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CN2C=NC3=C2C=CC(=C3)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NC(CO)CSC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C36H37N5O6S2/c42-22-29(23-48-30-9-5-2-6-10-30)38-32-17-16-31(20-35(32)41(44)45)49(46,47)39-36(43)27-13-11-26(12-14-27)28-15-18-34-33(19-28)37-24-40(34)21-25-7-3-1-4-8-25/h2,5-6,9-20,24-25,29,38,42H,1,3-4,7-8,21-23H2,(H,39,43)