ethyl 1-(3-acetamidophenyl)sulfonyl-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(3-acetamidophenyl)sulfonyl-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(3-acetamidophenyl)sulfonyl-3-benzyl-piperidine-3-carboxylate CAS Name: 1-(3-acetamidophenyl)sulfonyl-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-acetamidophenyl)sulfonyl-3-benzylpiperidine-3-carboxylate Traditional Name: 1-(3-acetamidophenyl)sulfonyl-3-benzyl-nipecotic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C)CC3=CC=CC=C3

InChI

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