ethyl 1-(4-ethanoylphenyl)sulfonyl-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(4-ethanoylphenyl)sulfonyl-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(4-acetylphenyl)sulfonyl-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-acetylphenyl)sulfonyl-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonyl-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C)CC3=CC=CC=C3C

InChI

InChI=1S/C24H29NO5S/c1-4-30-23(27)24(16-21-9-6-5-8-18(21)2)14-7-15-25(17-24)31(28,29)22-12-10-20(11-13-22)19(3)26/h5-6,8-13H,4,7,14-17H2,1-3H3