4-(4-fluorophenyl)-N-[4-[(4-morpholin-4-yl-4-oxidanylidene-1-phenylsulfanyl-butan-2-yl)amino]-3-nitro-phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4-fluorophenyl)-N-[4-[(4-morpholin-4-yl-4-oxidanylidene-1-phenylsulfanyl-butan-2-yl)amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[4-[[3-morpholino-3-oxo-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[4-[[4-(4-morpholinyl)-4-oxo-1-(phenylthio)butan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[4-[(4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl)amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[4-[[3-keto-3-morpholino-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C33H31FN4O7S2 MolecularWeight: 678.750243

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)CC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C33H31FN4O7S2/c34-26-12-10-24(11-13-26)23-6-8-25(9-7-23)33(40)36-47(43,44)29-14-15-30(31(21-29)38(41)42)35-27(22-46-28-4-2-1-3-5-28)20-32(39)37-16-18-45-19-17-37/h1-15,21,27,35H,16-20,22H2,(H,36,40)