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

Systemtic Name: methyl 1-[2-[(3,5-dimethylphenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[N-(benzenesulfonyl)-3,5-dimethyl-anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-besyl-3,5-dimethyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-17-13-18(2)15-20(14-17)25(31(28,29)21-7-5-4-6-8-21)16-22(26)24-11-9-19(10-12-24)23(27)30-3/h4-8,13-15,19H,9-12,16H2,1-3H3