4-(4-but-2-ynoxyphenyl)sulfonyl-1-(phenylcarbonyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(phenylcarbonyl)piperidine-4-carboxylic acid Openeye Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-isonipecotic acid Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H23NO6S/c1-2-3-17-30-19-9-11-20(12-10-19)31(28,29)23(22(26)27)13-15-24(16-14-23)21(25)18-7-5-4-6-8-18/h4-12H,13-17H2,1H3,(H,26,27)