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

Systemtic Name: methyl 4-[[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[(1-besylisonipecotoyl)amino]methyl]benzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-28-21(25)18-9-7-16(8-10-18)15-22-20(24)17-11-13-23(14-12-17)29(26,27)19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3,(H,22,24)