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

Systemtic Name: 4-(1-cyclopentylbenzimidazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(1-cyclopentylbenzimidazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(1-cyclopentyl-5-benzimidazolyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(1-cyclopentylbenzimidazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(1-cyclopentylbenzimidazol-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C33H31N5O5S2 MolecularWeight: 641.75974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=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-]

Isomeric SMILES

C1CCC(C1)N2C=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-]

InChI

InChI=1S/C33H31N5O5S2/c39-33(24-12-10-23(11-13-24)25-14-17-31-30(20-25)35-22-37(31)26-6-4-5-7-26)36-45(42,43)28-15-16-29(32(21-28)38(40)41)34-18-19-44-27-8-2-1-3-9-27/h1-3,8-17,20-22,26,34H,4-7,18-19H2,(H,36,39)