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

Systemtic Name: 4-[1-(cyclohexylmethyl)benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[1-(cyclohexylmethyl)benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[1-(cyclohexylmethyl)-5-benzimidazolyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[1-(cyclohexylmethyl)benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[1-(cyclohexylmethyl)benzimidazol-5-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C35H35N5O5S2 MolecularWeight: 669.8129

Click to see the large picture

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-]

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-]

InChI

InChI=1S/C35H35N5O5S2/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/h2,5-6,9-18,21-22,24-25,36H,1,3-4,7-8,19-20,23H2,(H,38,41)