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

Systemtic Name: methyl 1-[2-[(2-methylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[2-methyl-N-(p-tolylsulfonyl)anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-methyl-N-tosyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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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=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC(CC2)C(=O)OC)C3=CC=CC=C3C

InChI

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