3-(4-but-2-ynoxyphenyl)sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 3-(4-but-2-ynoxyphenyl)sulfonylpiperidine-3-carboxylic acid Openeye Name: 3-(4-but-2-ynoxyphenyl)sulfonylpiperidine-3-carboxylic acid CAS Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 3-(4-but-2-ynoxyphenyl)sulfonylpiperidine-3-carboxylic acid Traditional Name: 3-(4-but-2-ynoxyphenyl)sulfonylnipecotic 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(CCCNC2)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCCNC2)C(=O)O

InChI

InChI=1S/C16H19NO5S/c1-2-3-11-22-13-5-7-14(8-6-13)23(20,21)16(15(18)19)9-4-10-17-12-16/h5-8,17H,4,9-12H2,1H3,(H,18,19)