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

Systemtic Name: 4-(4-fluorophenyl)-N-[4-[(2-methyl-2-phenylsulfanyl-propyl)amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[4-[(2-methyl-2-phenylsulfanyl-propyl)amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[4-[[2-methyl-2-(phenylthio)propyl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[4-[(2-methyl-2-phenylsulfanylpropyl)amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[4-[[2-methyl-2-(phenylthio)propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C29H26FN3O5S2 MolecularWeight: 579.662243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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

CC(C)(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/C29H26FN3O5S2/c1-29(2,39-24-6-4-3-5-7-24)19-31-26-17-16-25(18-27(26)33(35)36)40(37,38)32-28(34)22-10-8-20(9-11-22)21-12-14-23(30)15-13-21/h3-18,31H,19H2,1-2H3,(H,32,34)