4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonylisonipecotic acid Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCNCC2)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCNCC2)C(=O)O

InChI

InChI=1S/C16H19NO5S/c1-2-3-12-22-13-4-6-14(7-5-13)23(20,21)16(15(18)19)8-10-17-11-9-16/h4-7,17H,8-12H2,1H3,(H,18,19)