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

Systemtic Name: 4-(4-fluorophenyl)-N-[4-[(1-morpholin-4-yl-3-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[4-[[1-(morpholinomethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[4-[[1-(4-morpholinyl)-3-(phenylthio)propan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[4-[(1-morpholin-4-yl-3-phenylsulfanylpropan-2-yl)amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[4-[[1-(morpholinomethyl)-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C32H31FN4O6S2 MolecularWeight: 650.740143

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(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

C1COCCN1CC(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/C32H31FN4O6S2/c33-26-12-10-24(11-13-26)23-6-8-25(9-7-23)32(38)35-45(41,42)29-14-15-30(31(20-29)37(39)40)34-27(21-36-16-18-43-19-17-36)22-44-28-4-2-1-3-5-28/h1-15,20,27,34H,16-19,21-22H2,(H,35,38)