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

Systemtic Name: methyl 3-[(1-ethylsulfonylpiperidin-4-yl)carbonylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-4-fluoro-benzoate CAS Name: 3-[[(1-ethylsulfonyl-4-piperidinyl)-oxomethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-4-fluorobenzoate Traditional Name: 3-[(1-esylisonipecotoyl)amino]-4-fluoro-benzoic acid methyl ester Formula: C16H21FN2O5S MolecularWeight: 372.411743

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)F

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)F

InChI

InChI=1S/C16H21FN2O5S/c1-3-25(22,23)19-8-6-11(7-9-19)15(20)18-14-10-12(16(21)24-2)4-5-13(14)17/h4-5,10-11H,3,6-9H2,1-2H3,(H,18,20)