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

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(1-ethanoylpiperidin-4-yl)ethanoic acid Openeye Name: 2-(1-acetyl-4-piperidyl)-2-(4-but-2-ynoxyphenyl)sulfonyl-acetic acid CAS Name: 2-(1-acetyl-4-piperidinyl)-2-(4-but-2-ynoxyphenyl)sulfonylacetic acid IUPAC Name: 2-(1-acetylpiperidin-4-yl)-2-(4-but-2-ynoxyphenyl)sulfonylacetic acid Traditional Name: 2-(1-acetyl-4-piperidyl)-2-(4-but-2-ynoxyphenyl)sulfonyl-acetic acid Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO6S/c1-3-4-13-26-16-5-7-17(8-6-16)27(24,25)18(19(22)23)15-9-11-20(12-10-15)14(2)21/h5-8,15,18H,9-13H2,1-2H3,(H,22,23)