[2-[4-(4-but-2-ynoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)piperazin-1-yl]-2-oxidanylidene-ethyl]carbamic acid

Systemtic Name: [2-[4-(4-but-2-ynoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)piperazin-1-yl]-2-oxidanylidene-ethyl]carbamic acid Openeye Name: [2-[4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]-2-oxo-ethyl]carbamic acid CAS Name: [2-[4-(4-but-2-ynoxyphenyl)sulfonyl-3-[(hydroxyamino)-oxomethyl]-1-piperazinyl]-2-oxoethyl]carbamic acid IUPAC Name: [2-[4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]-2-oxoethyl]carbamic acid Traditional Name: [2-[4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)piperazino]-2-keto-ethyl]carbamic acid Formula: C18H22N4O8S MolecularWeight: 454.45428

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)CNC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O8S/c1-2-3-10-30-13-4-6-14(7-5-13)31(28,29)22-9-8-21(12-15(22)17(24)20-27)16(23)11-19-18(25)26/h4-7,15,19,27H,8-12H2,1H3,(H,20,24)(H,25,26)