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

Systemtic Name: 3-methyl-4-methylsulfonyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 3-methyl-4-methylsulfonyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 3-methyl-4-methylsulfonyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 3-methyl-4-methylsulfonyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-mesyl-3-methyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C22H24N2O7S2 MolecularWeight: 492.56516

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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#CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1C(N(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H24N2O7S2/c1-17-21(22(25)26)24(15-14-23(17)32(2,27)28)33(29,30)20-12-10-19(11-13-20)31-16-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21H,14-16H2,1-2H3,(H,25,26)