4-(1-butyl-2-oxidanylidene-3H-benzimidazol-5-yl)-N-[3-nitro-4-[(1-oxidanyl-3-phenylsulfanyl-propan-2-yl)amino]phenyl]sulfonyl-benzamide

Systemtic Name: 4-(1-butyl-2-oxidanylidene-3H-benzimidazol-5-yl)-N-[3-nitro-4-[(1-oxidanyl-3-phenylsulfanyl-propan-2-yl)amino]phenyl]sulfonyl-benzamide Openeye Name: 4-(1-butyl-2-oxo-3H-benzimidazol-5-yl)-N-[4-[[1-(hydroxymethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(1-butyl-2-oxo-3H-benzimidazol-5-yl)-N-[4-[[1-hydroxy-3-(phenylthio)propan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(1-butyl-2-oxo-3H-benzimidazol-5-yl)-N-[4-[(1-hydroxy-3-phenylsulfanylpropan-2-yl)amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(1-butyl-2-keto-3H-benzimidazol-5-yl)-N-[4-[[1-methylol-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C33H33N5O7S2 MolecularWeight: 675.77442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CO)CSC5=CC=CC=C5)[N+](=O)[O-])NC1=O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CO)CSC5=CC=CC=C5)[N+](=O)[O-])NC1=O

InChI

InChI=1S/C33H33N5O7S2/c1-2-3-17-37-30-16-13-24(18-29(30)35-33(37)41)22-9-11-23(12-10-22)32(40)36-47(44,45)27-14-15-28(31(19-27)38(42)43)34-25(20-39)21-46-26-7-5-4-6-8-26/h4-16,18-19,25,34,39H,2-3,17,20-21H2,1H3,(H,35,41)(H,36,40)