2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-(phenylcarbonyl)piperidin-4-yl]ethanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-(phenylcarbonyl)piperidin-4-yl]ethanoic acid Openeye Name: 2-(1-benzoyl-4-piperidyl)-2-(4-but-2-ynoxyphenyl)sulfonyl-acetic acid CAS Name: 2-(1-benzoyl-4-piperidinyl)-2-(4-but-2-ynoxyphenyl)sulfonylacetic acid IUPAC Name: 2-(1-benzoylpiperidin-4-yl)-2-(4-but-2-ynoxyphenyl)sulfonylacetic acid Traditional Name: 2-(1-benzoyl-4-piperidyl)-2-(4-but-2-ynoxyphenyl)sulfonyl-acetic acid Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C2CCN(CC2)C(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C2CCN(CC2)C(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H25NO6S/c1-2-3-17-31-20-9-11-21(12-10-20)32(29,30)22(24(27)28)18-13-15-25(16-14-18)23(26)19-7-5-4-6-8-19/h4-12,18,22H,13-17H2,1H3,(H,27,28)