2-(4-but-2-ynoxyphenyl)sulfonyl-2-(1-cyclopropylcarbonylpiperidin-4-yl)ethanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(1-cyclopropylcarbonylpiperidin-4-yl)ethanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-(cyclopropanecarbonyl)-4-piperidyl]acetic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]acetic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-(cyclopropanecarbonyl)-4-piperidyl]acetic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C2CCN(CC2)C(=O)C3CC3)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C2CCN(CC2)C(=O)C3CC3)C(=O)O

InChI

InChI=1S/C21H25NO6S/c1-2-3-14-28-17-6-8-18(9-7-17)29(26,27)19(21(24)25)15-10-12-22(13-11-15)20(23)16-4-5-16/h6-9,15-16,19H,4-5,10-14H2,1H3,(H,24,25)