ethyl 1-[2-[(3-chloranyl-4-methyl-phenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(3-chloranyl-4-methyl-phenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[N-(benzenesulfonyl)-3-chloro-4-methyl-anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-besyl-3-chloro-4-methyl-anilino)acetyl]isonipecotic acid ethyl ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O5S/c1-3-31-23(28)18-11-13-25(14-12-18)22(27)16-26(19-10-9-17(2)21(24)15-19)32(29,30)20-7-5-4-6-8-20/h4-10,15,18H,3,11-14,16H2,1-2H3