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

Systemtic Name: 4-(2-but-2-ynoxyphenyl)sulfinylpiperidine-4-carboxylic acid Openeye Name: 4-(2-but-2-ynoxyphenyl)sulfinylpiperidine-4-carboxylic acid CAS Name: 4-(2-but-2-ynoxyphenyl)sulfinyl-4-piperidinecarboxylic acid IUPAC Name: 4-(2-but-2-ynoxyphenyl)sulfinylpiperidine-4-carboxylic acid Traditional Name: 4-(2-but-2-ynoxyphenyl)sulfinylisonipecotic acid Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1S(=O)C2(CCNCC2)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=CC=C1S(=O)C2(CCNCC2)C(=O)O

InChI

InChI=1S/C16H19NO4S/c1-2-3-12-21-13-6-4-5-7-14(13)22(20)16(15(18)19)8-10-17-11-9-16/h4-7,17H,8-12H2,1H3,(H,18,19)