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

Systemtic Name: 2-methyl-4-[4-(4-methyl-4-oxidanyl-pent-2-ynoxy)phenyl]sulfonyl-piperazine-1,3-dicarboxylic acid Openeye Name: 4-[4-(4-hydroxy-4-methyl-pent-2-ynoxy)phenyl]sulfonyl-2-methyl-piperazine-1,3-dicarboxylic acid CAS Name: 4-[4-(4-hydroxy-4-methylpent-2-ynoxy)phenyl]sulfonyl-2-methylpiperazine-1,3-dicarboxylic acid IUPAC Name: 4-[4-(4-hydroxy-4-methylpent-2-ynoxy)phenyl]sulfonyl-2-methylpiperazine-1,3-dicarboxylic acid Traditional Name: 4-[4-(4-hydroxy-4-methyl-pent-2-ynoxy)phenyl]sulfonyl-2-methyl-piperazine-1,3-dicarboxylic acid Formula: C19H24N2O8S MolecularWeight: 440.46746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O8S/c1-13-16(17(22)23)21(11-10-20(13)18(24)25)30(27,28)15-7-5-14(6-8-15)29-12-4-9-19(2,3)26/h5-8,13,16,26H,10-12H2,1-3H3,(H,22,23)(H,24,25)