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

Systemtic Name: 3-methyl-1-[4-(4-methyl-4-oxidanyl-pent-2-ynoxy)phenyl]sulfonyl-5-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-hydroxy-4-methyl-pent-2-ynoxy)phenyl]sulfonyl-3-methyl-5-oxo-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-hydroxy-4-methylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-hydroxy-4-methylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-5-oxopiperazine-2-carboxylic acid Traditional Name: 1-[4-(4-hydroxy-4-methyl-pent-2-ynoxy)phenyl]sulfonyl-5-keto-3-methyl-piperazine-2-carboxylic acid Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O7S/c1-12-16(17(22)23)20(11-15(21)19-12)28(25,26)14-7-5-13(6-8-14)27-10-4-9-18(2,3)24/h5-8,12,16,24H,10-11H2,1-3H3,(H,19,21)(H,22,23)