methyl 1-[2-[(2,5-dimethylphenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(2,5-dimethylphenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[N-(benzenesulfonyl)-2,5-dimethyl-anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-besyl-2,5-dimethyl-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)C)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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