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

Systemtic Name: 3-methyl-4-methylsulfonyl-1-[4-(4-oxidanylhex-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-3-methyl-4-methylsulfonyl-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-3-methyl-4-methylsulfonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-3-methyl-4-methylsulfonylpiperazine-2-carboxylic acid Traditional Name: 1-[4-(4-hydroxyhex-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:

CCC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2C(=O)O)C)S(=O)(=O)C)O

Isomeric SMILES

CCC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2C(=O)O)C)S(=O)(=O)C)O

InChI

InChI=1S/C19H26N2O8S2/c1-4-15(22)6-5-13-29-16-7-9-17(10-8-16)31(27,28)21-12-11-20(30(3,25)26)14(2)18(21)19(23)24/h7-10,14-15,18,22H,4,11-13H2,1-3H3,(H,23,24)