7,7-dimethyl-4-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]hept-2-ene-3-carboxylic acid

Systemtic Name: 7,7-dimethyl-4-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]hept-2-ene-3-carboxylic acid Openeye Name: 7,7-dimethyl-4-[[4-(o-tolyl)piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]hept-2-ene-3-carboxylic acid CAS Name: 7,7-dimethyl-4-[[4-(2-methylphenyl)-1-piperazinyl]sulfonylmethyl]-3-bicyclo[2.2.1]hept-2-enecarboxylic acid IUPAC Name: 7,7-dimethyl-4-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]hept-2-ene-3-carboxylic acid Traditional Name: 7,7-dimethyl-4-[[4-(o-tolyl)piperazino]sulfonylmethyl]bicyclo[2.2.1]hept-2-ene-3-carboxylic acid Formula: C22H30N2O4S MolecularWeight: 418.5496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CC34CCC(C3(C)C)C=C4C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CC34CCC(C3(C)C)C=C4C(=O)O

InChI

InChI=1S/C22H30N2O4S/c1-16-6-4-5-7-19(16)23-10-12-24(13-11-23)29(27,28)15-22-9-8-17(21(22,2)3)14-18(22)20(25)26/h4-7,14,17H,8-13,15H2,1-3H3,(H,25,26)