methyl 1-[2-[(4-ethoxyphenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-ethoxyphenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[N-(benzenesulfonyl)-4-ethoxy-anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[N-(benzenesulfonyl)-4-ethoxyanilino]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[N-(benzenesulfonyl)-4-ethoxyanilino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-besyl-4-ethoxy-anilino)acetyl]isonipecotic acid methyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O6S/c1-3-31-20-11-9-19(10-12-20)25(32(28,29)21-7-5-4-6-8-21)17-22(26)24-15-13-18(14-16-24)23(27)30-2/h4-12,18H,3,13-17H2,1-2H3