methyl 1-[4-[[methylsulfonyl(phenyl)amino]methyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[[methylsulfonyl(phenyl)amino]methyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(N-mesylanilino)methyl]benzoyl]isonipecotic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H26N2O5S/c1-29-22(26)19-12-14-23(15-13-19)21(25)18-10-8-17(9-11-18)16-24(30(2,27)28)20-6-4-3-5-7-20/h3-11,19H,12-16H2,1-2H3