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

Systemtic Name: ethyl 1-[2-[(2-ethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 1-[2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-ethyl-N-tosyl-anilino)acetyl]isonipecotic acid ethyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5S/c1-4-20-8-6-7-9-23(20)27(33(30,31)22-12-10-19(3)11-13-22)18-24(28)26-16-14-21(15-17-26)25(29)32-5-2/h6-13,21H,4-5,14-18H2,1-3H3