3,3-dimethyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-4-methylsulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-4-methylsulfonyl-piperazine-2-carboxylic acid Openeye Name: 3,3-dimethyl-4-methylsulfonyl-1-[4-(o-tolylmethoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 3,3-dimethyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-4-methylsulfonyl-2-piperazinecarboxylic acid IUPAC Name: 3,3-dimethyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-4-methylsulfonylpiperazine-2-carboxylic acid Traditional Name: 4-mesyl-3,3-dimethyl-1-[4-(2-methylbenzyl)oxyphenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C22H28N2O7S2 MolecularWeight: 496.59692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CCN(C(C3C(=O)O)(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CCN(C(C3C(=O)O)(C)C)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O7S2/c1-16-7-5-6-8-17(16)15-31-18-9-11-19(12-10-18)33(29,30)23-13-14-24(32(4,27)28)22(2,3)20(23)21(25)26/h5-12,20H,13-15H2,1-4H3,(H,25,26)