ethyl 1-[2-[(3-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(3-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-chloro-N-(p-tolylsulfonyl)anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-chloro-N-tosyl-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=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

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