ethyl 1-[4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(N-mesyl-3,4-dimethyl-anilino)methyl]benzoyl]isonipecotic acid ethyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5S/c1-5-32-25(29)22-12-14-26(15-13-22)24(28)21-9-7-20(8-10-21)17-27(33(4,30)31)23-11-6-18(2)19(3)16-23/h6-11,16,22H,5,12-15,17H2,1-4H3