methyl 1-[2-[(3,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(3,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[3,5-dimethyl-N-(p-tolylsulfonyl)anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3,5-dimethyl-N-tosyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC(CC2)C(=O)OC)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC(CC2)C(=O)OC)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C24H30N2O5S/c1-17-5-7-22(8-6-17)32(29,30)26(21-14-18(2)13-19(3)15-21)16-23(27)25-11-9-20(10-12-25)24(28)31-4/h5-8,13-15,20H,9-12,16H2,1-4H3