methyl 4-[[(1-methylsulfonylpiperidin-4-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(1-methylsulfonylpiperidin-4-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(1-methylsulfonylpiperidine-4-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-methylsulfonylpiperidine-4-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(1-mesylisonipecotoyl)amino]methyl]benzoic acid methyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S/c1-23-16(20)14-5-3-12(4-6-14)11-17-15(19)13-7-9-18(10-8-13)24(2,21)22/h3-6,13H,7-11H2,1-2H3,(H,17,19)