methyl 3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[(1-besylisonipecotoyl)amino]benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-27-20(24)16-6-5-7-17(14-16)21-19(23)15-10-12-22(13-11-15)28(25,26)18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3,(H,21,23)