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

Systemtic Name: 4-ethanoyl-3-methyl-1-[4-(4-oxidanylpent-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C19H24N2O7S MolecularWeight: 424.46806

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)O)C(=O)O

Isomeric SMILES

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)O)C(=O)O

InChI

InChI=1S/C19H24N2O7S/c1-13(22)5-4-12-28-16-6-8-17(9-7-16)29(26,27)21-11-10-20(15(3)23)14(2)18(21)19(24)25/h6-9,13-14,18,22H,10-12H2,1-3H3,(H,24,25)