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

Systemtic Name: 3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 3-methyl-1-[4-(o-tolylmethoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 3-methyl-1-[4-(2-methylbenzyl)oxyphenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C)C(=O)O

Isomeric SMILES

CC1C(N(CCN1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C)C(=O)O

InChI

InChI=1S/C20H24N2O5S/c1-14-5-3-4-6-16(14)13-27-17-7-9-18(10-8-17)28(25,26)22-12-11-21-15(2)19(22)20(23)24/h3-10,15,19,21H,11-13H2,1-2H3,(H,23,24)