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

Systemtic Name: 1-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-5-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-5-oxo-piperazine-2-carboxylic acid CAS Name: 1-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-5-oxopiperazine-2-carboxylic acid Traditional Name: 1-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-5-keto-3-methyl-piperazine-2-carboxylic acid Formula: C19H24N2O6S MolecularWeight: 408.46866

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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)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O6S/c1-13-17(18(23)24)21(12-16(22)20-13)28(25,26)15-8-6-14(7-9-15)27-11-5-10-19(2,3)4/h6-9,13,17H,11-12H2,1-4H3,(H,20,22)(H,23,24)