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

Systemtic Name: 1-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-4-methylsulfonyl-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-4-methylsulfonyl-piperazine-2-carboxylic acid CAS Name: 1-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-4-methylsulfonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-4-methylsulfonylpiperazine-2-carboxylic acid Traditional Name: 1-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-4-mesyl-3-methyl-piperazine-2-carboxylic acid Formula: C20H28N2O7S2 MolecularWeight: 472.57552

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)(C)C)C(=O)O

Isomeric SMILES

CC1C(N(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)(C)C)C(=O)O

InChI

InChI=1S/C20H28N2O7S2/c1-15-18(19(23)24)22(13-12-21(15)30(5,25)26)31(27,28)17-9-7-16(8-10-17)29-14-6-11-20(2,3)4/h7-10,15,18H,12-14H2,1-5H3,(H,23,24)