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

Systemtic Name: ethyl 1-[4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(3-chloro-N-methylsulfonyl-anilino)methyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(3-chloro-N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3-chloro-N-methylsulfonylanilino)methyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(3-chloro-N-mesyl-anilino)methyl]benzoyl]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)C2=CC=C(C=C2)CN(C3=CC(=CC=C3)Cl)S(=O)(=O)C

Isomeric SMILES

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

InChI

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