ethyl 1-[4-[methylsulfonyl(phenyl)amino]butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[methylsulfonyl(phenyl)amino]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-(N-methylsulfonylanilino)-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(N-mesylanilino)butanoyl]isonipecotic acid ethyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCN(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCN(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C19H28N2O5S/c1-3-26-19(23)16-11-14-20(15-12-16)18(22)10-7-13-21(27(2,24)25)17-8-5-4-6-9-17/h4-6,8-9,16H,3,7,10-15H2,1-2H3