4-(4-fluorophenyl)-N-[4-[(3-methoxy-2-phenylsulfanyl-propyl)amino]-3-nitro-phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4-fluorophenyl)-N-[4-[(3-methoxy-2-phenylsulfanyl-propyl)amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[4-[(3-methoxy-2-phenylsulfanyl-propyl)amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[4-[[3-methoxy-2-(phenylthio)propyl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[4-[(3-methoxy-2-phenylsulfanylpropyl)amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[4-[[3-methoxy-2-(phenylthio)propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C29H26FN3O6S2 MolecularWeight: 595.661643

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CNC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F)[N+](=O)[O-])SC4=CC=CC=C4

Isomeric SMILES

COCC(CNC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F)[N+](=O)[O-])SC4=CC=CC=C4

InChI

InChI=1S/C29H26FN3O6S2/c1-39-19-25(40-24-5-3-2-4-6-24)18-31-27-16-15-26(17-28(27)33(35)36)41(37,38)32-29(34)22-9-7-20(8-10-22)21-11-13-23(30)14-12-21/h2-17,25,31H,18-19H2,1H3,(H,32,34)