methyl 1-[(2R)-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(2R)-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(2R)-2-(3,4-dimethyl-N-methylsulfonyl-anilino)propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2R)-2-(N-mesyl-3,4-dimethyl-anilino)propanoyl]isonipecotic acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C(C)C(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N([C@H](C)C(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C)C

InChI

InChI=1S/C19H28N2O5S/c1-13-6-7-17(12-14(13)2)21(27(5,24)25)15(3)18(22)20-10-8-16(9-11-20)19(23)26-4/h6-7,12,15-16H,8-11H2,1-5H3/t15-/m1/s1