methyl 4-[[1-(phenylsulfonyl)piperidin-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-(phenylsulfonyl)piperidin-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]benzoate CAS Name: 4-[[[1-(benzenesulfonyl)-2-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]benzoate Traditional Name: 4-[(1-besylpipecoloyl)amino]benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

InChI

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