4-ethanoyl-3-methyl-1-(4-pent-2-ynoxyphenyl)sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-ethanoyl-3-methyl-1-(4-pent-2-ynoxyphenyl)sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-3-methyl-1-(4-pent-2-ynoxyphenyl)sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-3-methyl-1-(4-pent-2-ynoxyphenyl)sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-3-methyl-1-(4-pent-2-ynoxyphenyl)sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-3-methyl-1-(4-pent-2-ynoxyphenyl)sulfonyl-piperazine-2-carboxylic acid Formula: C19H24N2O6S MolecularWeight: 408.46866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2C(=O)O)C)C(=O)C

Isomeric SMILES

CCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2C(=O)O)C)C(=O)C

InChI

InChI=1S/C19H24N2O6S/c1-4-5-6-13-27-16-7-9-17(10-8-16)28(25,26)21-12-11-20(15(3)22)14(2)18(21)19(23)24/h7-10,14,18H,4,11-13H2,1-3H3,(H,23,24)