4-[1-(cyclohexylmethyl)-2-oxidanylidene-3H-benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[1-(cyclohexylmethyl)-2-oxidanylidene-3H-benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[1-(cyclohexylmethyl)-2-oxo-3H-benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[1-(cyclohexylmethyl)-2-oxo-3H-benzimidazol-5-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[1-(cyclohexylmethyl)-2-oxo-3H-benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[1-(cyclohexylmethyl)-2-keto-3H-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)CN2C3=C(C=C(C=C3)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-])NC2=O

Isomeric SMILES

C1CCC(CC1)CN2C3=C(C=C(C=C3)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-])NC2=O

InChI

InChI=1S/C35H35N5O6S2/c41-34(38-48(45,46)29-16-17-30(33(22-29)40(43)44)36-19-20-47-28-9-5-2-6-10-28)26-13-11-25(12-14-26)27-15-18-32-31(21-27)37-35(42)39(32)23-24-7-3-1-4-8-24/h2,5-6,9-18,21-22,24,36H,1,3-4,7-8,19-20,23H2,(H,37,42)(H,38,41)