4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid Openeye Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]isonipecotic acid Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CC2(CCNCC2)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CC2(CCNCC2)C(=O)O

InChI

InChI=1S/C17H21NO5S/c1-2-3-12-23-14-4-6-15(7-5-14)24(21,22)13-17(16(19)20)8-10-18-11-9-17/h4-7,18H,8-13H2,1H3,(H,19,20)