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

Systemtic Name: methyl 1-[2-[(2,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[2,5-dimethyl-N-(p-tolylsulfonyl)anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2,5-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=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

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