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

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-propanoyl-piperazine-2-carboxylic acid Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-propanoyl-piperazine-2-carboxylic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(1-oxopropyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-propanoylpiperazine-2-carboxylic acid Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-propionyl-piperazine-2-carboxylic acid Formula: C18H22N2O6S MolecularWeight: 394.44208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCC(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C18H22N2O6S/c1-3-5-12-26-14-6-8-15(9-7-14)27(24,25)20-11-10-19(17(21)4-2)13-16(20)18(22)23/h6-9,16H,4,10-13H2,1-2H3,(H,22,23)