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

Systemtic Name: methyl 1-[2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-isopropyl-N-(p-tolylsulfonyl)anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-isopropyl-N-tosyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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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=C(C=C3)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5S/c1-18(2)20-7-9-22(10-8-20)27(33(30,31)23-11-5-19(3)6-12-23)17-24(28)26-15-13-21(14-16-26)25(29)32-4/h5-12,18,21H,13-17H2,1-4H3