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

Systemtic Name: 3-methyl-1-[4-(4-methyl-4-oxidanyl-pent-2-ynoxy)phenyl]sulfonyl-4-methylsulfonyl-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-hydroxy-4-methyl-pent-2-ynoxy)phenyl]sulfonyl-3-methyl-4-methylsulfonyl-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-hydroxy-4-methylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-4-methylsulfonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-hydroxy-4-methylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-4-methylsulfonylpiperazine-2-carboxylic acid Traditional Name: 1-[4-(4-hydroxy-4-methyl-pent-2-ynoxy)phenyl]sulfonyl-4-mesyl-3-methyl-piperazine-2-carboxylic acid Formula: C19H26N2O8S2 MolecularWeight: 474.54834

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)(C)O)C(=O)O

Isomeric SMILES

CC1C(N(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)(C)O)C(=O)O

InChI

InChI=1S/C19H26N2O8S2/c1-14-17(18(22)23)21(12-11-20(14)30(4,25)26)31(27,28)16-8-6-15(7-9-16)29-13-5-10-19(2,3)24/h6-9,14,17,24H,11-13H2,1-4H3,(H,22,23)