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

Systemtic Name: 4-ethanoyl-3-methyl-1-[4-(4-methyl-4-oxidanyl-pent-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-[4-(4-hydroxy-4-methyl-pent-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-[4-(4-hydroxy-4-methylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-[4-(4-hydroxy-4-methylpent-2-ynoxy)phenyl]sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-[4-(4-hydroxy-4-methyl-pent-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C20H26N2O7S MolecularWeight: 438.49464

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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)(C)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O7S/c1-14-18(19(24)25)22(12-11-21(14)15(2)23)30(27,28)17-8-6-16(7-9-17)29-13-5-10-20(3,4)26/h6-9,14,18,26H,11-13H2,1-4H3,(H,24,25)