4-ethanoyl-3-methyl-1-(4-pent-3-yn-2-yloxyphenyl)sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-ethanoyl-3-methyl-1-(4-pent-3-yn-2-yloxyphenyl)sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-3-methyl-1-[4-(1-methylbut-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-3-methyl-1-(4-pent-3-yn-2-yloxyphenyl)sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-3-methyl-1-(4-pent-3-yn-2-yloxyphenyl)sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-3-methyl-1-[4-(1-methylbut-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O6S/c1-5-6-13(2)27-16-7-9-17(10-8-16)28(25,26)21-12-11-20(15(4)22)14(3)18(21)19(23)24/h7-10,13-14,18H,11-12H2,1-4H3,(H,23,24)