methyl 1-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3,5-dimethyl-N-methylsulfonyl-anilino)propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-(3,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3,5-dimethyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-3,5-dimethyl-anilino)propanoyl]isonipecotic acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-13-10-14(2)12-17(11-13)21(27(5,24)25)15(3)18(22)20-8-6-16(7-9-20)19(23)26-4/h10-12,15-16H,6-9H2,1-5H3