ethyl 1-(4-acetamidophenyl)sulfonyl-4-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-acetamidophenyl)sulfonyl-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(4-acetamidophenyl)sulfonyl-4-benzyl-piperidine-4-carboxylate CAS Name: 1-(4-acetamidophenyl)sulfonyl-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-acetamidophenyl)sulfonyl-4-benzylpiperidine-4-carboxylate Traditional Name: 1-(4-acetamidophenyl)sulfonyl-4-benzyl-isonipecotic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)CC3=CC=CC=C3

InChI

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