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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(phenylmethyl)benzimidazol-5-yl]benzamide Openeye Name: 4-(1-benzylbenzimidazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[1-(phenylmethyl)-5-benzimidazolyl]benzamide IUPAC Name: 4-(1-benzylbenzimidazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(1-benzylbenzimidazol-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C35H29N5O5S2 MolecularWeight: 663.76526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)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-]

Isomeric SMILES

C1=CC=C(C=C1)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-]

InChI

InChI=1S/C35H29N5O5S2/c41-35(38-47(44,45)30-16-17-31(34(22-30)40(42)43)36-19-20-46-29-9-5-2-6-10-29)27-13-11-26(12-14-27)28-15-18-33-32(21-28)37-24-39(33)23-25-7-3-1-4-8-25/h1-18,21-22,24,36H,19-20,23H2,(H,38,41)