(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C16H22N2O5S MolecularWeight: 354.42128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

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