ethyl 1-[2-[methylsulfonyl(phenyl)amino]butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[methylsulfonyl(phenyl)amino]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxylate CAS Name: 1-[2-(N-methylsulfonylanilino)-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesylanilino)butanoyl]isonipecotic acid ethyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCC(CC1)C(=O)OCC)N(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)N1CCC(CC1)C(=O)OCC)N(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C19H28N2O5S/c1-4-17(21(27(3,24)25)16-9-7-6-8-10-16)18(22)20-13-11-15(12-14-20)19(23)26-5-2/h6-10,15,17H,4-5,11-14H2,1-3H3