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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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