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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethanoyl-piperidine-4-carboxylic acid Openeye Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-isonipecotic acid Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6S/c1-3-4-13-25-15-5-7-16(8-6-15)26(23,24)18(17(21)22)9-11-19(12-10-18)14(2)20/h5-8H,9-13H2,1-2H3,(H,21,22)