1-(4-but-2-ynoxyphenyl)sulfonyl-4-ethanoyl-piperazine-2-carboxylic acid

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-ethanoyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-(4-but-2-ynoxyphenyl)sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-(4-but-2-ynoxyphenyl)sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-(4-but-2-ynoxyphenyl)sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-(4-but-2-ynoxyphenyl)sulfonyl-piperazine-2-carboxylic acid Formula: C17H20N2O6S MolecularWeight: 380.4155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)C

InChI

InChI=1S/C17H20N2O6S/c1-3-4-11-25-14-5-7-15(8-6-14)26(23,24)19-10-9-18(13(2)20)12-16(19)17(21)22/h5-8,16H,9-12H2,1-2H3,(H,21,22)