3-methyl-1-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-5-oxidanylidene-piperazine-2-carboxylic acid

Systemtic Name: 3-methyl-1-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-5-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-5-oxo-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-5-oxopiperazine-2-carboxylic acid Traditional Name: 1-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-5-keto-3-methyl-piperazine-2-carboxylic acid Formula: C16H18N2O7S MolecularWeight: 382.38832

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)O

Isomeric SMILES

CC1C(N(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)O

InChI

InChI=1S/C16H18N2O7S/c1-11-15(16(21)22)18(10-14(20)17-11)26(23,24)13-6-4-12(5-7-13)25-9-3-2-8-19/h4-7,11,15,19H,8-10H2,1H3,(H,17,20)(H,21,22)