4-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-2-methyl-piperazine-1,3-dicarboxylic acid

Systemtic Name: 4-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-2-methyl-piperazine-1,3-dicarboxylic acid Openeye Name: 4-[4-(1-ethylbut-2-ynoxy)phenyl]sulfonyl-2-methyl-piperazine-1,3-dicarboxylic acid CAS Name: 4-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-2-methylpiperazine-1,3-dicarboxylic acid IUPAC Name: 4-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-2-methylpiperazine-1,3-dicarboxylic acid Traditional Name: 4-[4-(1-ethylbut-2-ynoxy)phenyl]sulfonyl-2-methyl-piperazine-1,3-dicarboxylic acid Formula: C19H24N2O7S MolecularWeight: 424.46806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2C(=O)O)C)C(=O)O

Isomeric SMILES

CCC(C#CC)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2C(=O)O)C)C(=O)O

InChI

InChI=1S/C19H24N2O7S/c1-4-6-14(5-2)28-15-7-9-16(10-8-15)29(26,27)21-12-11-20(19(24)25)13(3)17(21)18(22)23/h7-10,13-14,17H,5,11-12H2,1-3H3,(H,22,23)(H,24,25)