methyl 1-[2-[(2-methoxy-5-methyl-phenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(2-methoxy-5-methyl-phenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[N-(benzenesulfonyl)-2-methoxy-5-methyl-anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-besyl-2-methoxy-5-methyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O6S/c1-17-9-10-21(30-2)20(15-17)25(32(28,29)19-7-5-4-6-8-19)16-22(26)24-13-11-18(12-14-24)23(27)31-3/h4-10,15,18H,11-14,16H2,1-3H3