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

Systemtic Name: 4-(1-cyclopentyl-2-oxidanylidene-3H-benzimidazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(1-cyclopentyl-2-keto-3H-benzimidazol-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C33H31N5O6S2 MolecularWeight: 657.75914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=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(C1)N2C3=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/C33H31N5O6S2/c39-32(23-12-10-22(11-13-23)24-14-17-30-29(20-24)35-33(40)37(30)25-6-4-5-7-25)36-46(43,44)27-15-16-28(31(21-27)38(41)42)34-18-19-45-26-8-2-1-3-9-26/h1-3,8-17,20-21,25,34H,4-7,18-19H2,(H,35,40)(H,36,39)