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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(3-phenylpropyl)benzimidazol-5-yl]benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(3-phenylpropyl)benzimidazol-5-yl]benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[1-(3-phenylpropyl)-5-benzimidazolyl]benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(3-phenylpropyl)benzimidazol-5-yl]benzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[1-(3-phenylpropyl)benzimidazol-5-yl]benzamide Formula: C37H33N5O5S2 MolecularWeight: 691.81842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C=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)CCCN2C=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/C37H33N5O5S2/c43-37(40-49(46,47)32-18-19-33(36(25-32)42(44)45)38-21-23-48-31-11-5-2-6-12-31)29-15-13-28(14-16-29)30-17-20-35-34(24-30)39-26-41(35)22-7-10-27-8-3-1-4-9-27/h1-6,8-9,11-20,24-26,38H,7,10,21-23H2,(H,40,43)