1-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-3-methyl-4-methylsulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-3-methyl-4-methylsulfonyl-piperazine-2-carboxylic acid Openeye Name: 1-[4-(1-ethylbut-2-ynoxy)phenyl]sulfonyl-3-methyl-4-methylsulfonyl-piperazine-2-carboxylic acid CAS Name: 1-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-3-methyl-4-methylsulfonyl-2-piperazinecarboxylic acid IUPAC Name: 1-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-3-methyl-4-methylsulfonylpiperazine-2-carboxylic acid Traditional Name: 1-[4-(1-ethylbut-2-ynoxy)phenyl]sulfonyl-4-mesyl-3-methyl-piperazine-2-carboxylic acid Formula: C19H26N2O7S2 MolecularWeight: 458.54894

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O7S2/c1-5-7-15(6-2)28-16-8-10-17(11-9-16)30(26,27)21-13-12-20(29(4,24)25)14(3)18(21)19(22)23/h8-11,14-15,18H,6,12-13H2,1-4H3,(H,22,23)