methyl 4-fluoranyl-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-fluoro-3-[[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-fluoro-3-[[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]benzoate Traditional Name: 4-fluoro-3-[[1-(3-pyridylsulfonyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C19H20FN3O5S MolecularWeight: 421.442603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

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