methyl 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]benzoate CAS Name: 3-[[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C19H20FN3O5S MolecularWeight: 421.442603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN3O5S/c1-28-18(24)14-3-2-4-16(13-14)21-19(25)22-9-11-23(12-10-22)29(26,27)17-7-5-15(20)6-8-17/h2-8,13H,9-12H2,1H3,(H,21,25)