methyl 1-[2-[(2,4-dimethylphenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(2,4-dimethylphenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2,4-dimethyl-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(2,4-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2,4-dimethyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-2,4-dimethyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-13-5-6-16(14(2)11-13)20(26(4,23)24)12-17(21)19-9-7-15(8-10-19)18(22)25-3/h5-6,11,15H,7-10,12H2,1-4H3