4-(4-but-2-ynoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)piperazine-1-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-3-[(hydroxyamino)-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylic acid Formula: C16H19N3O7S MolecularWeight: 397.40296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)O

InChI

InChI=1S/C16H19N3O7S/c1-2-3-10-26-12-4-6-13(7-5-12)27(24,25)19-9-8-18(16(21)22)11-14(19)15(20)17-23/h4-7,14,23H,8-11H2,1H3,(H,17,20)(H,21,22)