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

Systemtic Name: 3-methyl-5-oxidanylidene-1-[4-(4-oxidanylpent-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-3-methyl-5-oxo-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-3-methyl-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-3-methyl-5-oxopiperazine-2-carboxylic acid Traditional Name: 1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-5-keto-3-methyl-piperazine-2-carboxylic acid Formula: C17H20N2O7S MolecularWeight: 396.4149

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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)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O7S/c1-11(20)4-3-9-26-13-5-7-14(8-6-13)27(24,25)19-10-15(21)18-12(2)16(19)17(22)23/h5-8,11-12,16,20H,9-10H2,1-2H3,(H,18,21)(H,22,23)