4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-ethanoyl-piperidine-4-carboxylic acid

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-ethanoyl-piperidine-4-carboxylic acid Openeye Name: 1-acetyl-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid CAS Name: 1-acetyl-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-acetyl-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-acetyl-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]isonipecotic acid Formula: C19H23NO6S MolecularWeight: 393.45402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO6S/c1-3-4-13-26-16-5-7-17(8-6-16)27(24,25)14-19(18(22)23)9-11-20(12-10-19)15(2)21/h5-8H,9-14H2,1-2H3,(H,22,23)