methyl 2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 2-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 2-[(1-besylnipecotoyl)amino]benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

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