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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=CC=C1N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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