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

Systemtic Name: 4-(2-butyl-1-cyclopentyl-benzimidazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(2-butyl-1-cyclopentyl-benzimidazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(2-butyl-1-cyclopentyl-5-benzimidazolyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(2-butyl-1-cyclopentylbenzimidazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(2-butyl-1-cyclopentyl-benzimidazol-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C37H39N5O5S2 MolecularWeight: 697.86606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3CCCC3)C=CC(=C2)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC2=C(N1C3CCCC3)C=CC(=C2)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/C37H39N5O5S2/c1-2-3-13-36-39-33-24-28(18-21-34(33)41(36)29-9-7-8-10-29)26-14-16-27(17-15-26)37(43)40-49(46,47)31-19-20-32(35(25-31)42(44)45)38-22-23-48-30-11-5-4-6-12-30/h4-6,11-12,14-21,24-25,29,38H,2-3,7-10,13,22-23H2,1H3,(H,40,43)