N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-[(1-oxidanylcyclohexyl)methyl]benzimidazol-5-yl]benzamide

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-[(1-oxidanylcyclohexyl)methyl]benzimidazol-5-yl]benzamide Openeye Name: 4-[1-[(1-hydroxycyclohexyl)methyl]benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[1-[(1-hydroxycyclohexyl)methyl]-5-benzimidazolyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[1-[(1-hydroxycyclohexyl)methyl]benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[1-[(1-hydroxycyclohexyl)methyl]benzimidazol-5-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C35H35N5O6S2 MolecularWeight: 685.8123

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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)NCCSC6=CC=CC=C6)[N+](=O)[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)NCCSC6=CC=CC=C6)[N+](=O)[O-])O

InChI

InChI=1S/C35H35N5O6S2/c41-34(38-48(45,46)29-14-15-30(33(22-29)40(43)44)36-19-20-47-28-7-3-1-4-8-28)26-11-9-25(10-12-26)27-13-16-32-31(21-27)37-24-39(32)23-35(42)17-5-2-6-18-35/h1,3-4,7-16,21-22,24,36,42H,2,5-6,17-20,23H2,(H,38,41)