7-(4-methylphenyl)-1-(trifluoromethylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 7-(4-methylphenyl)-1-(trifluoromethylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-(p-tolyl)-1-(trifluoromethylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-(4-methylphenyl)-1-(trifluoromethylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-(4-methylphenyl)-1-(trifluoromethylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-(p-tolyl)-1-triflyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C19H16F3NO4S MolecularWeight: 411.39485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H16F3NO4S/c1-12-2-4-13(5-3-12)14-6-7-17-16(10-14)11-15(18(24)25)8-9-23(17)28(26,27)19(20,21)22/h2-7,10-11H,8-9H2,1H3,(H,24,25)