methyl 7-butyl-2-(phenylsulfonyl)-3-(trifluoromethyl)-1,4-dihydroisoquinoline-3-carboxylate

Systemtic Name: methyl 7-butyl-2-(phenylsulfonyl)-3-(trifluoromethyl)-1,4-dihydroisoquinoline-3-carboxylate Openeye Name: methyl 2-(benzenesulfonyl)-7-butyl-3-(trifluoromethyl)-1,4-dihydroisoquinoline-3-carboxylate CAS Name: 2-(benzenesulfonyl)-7-butyl-3-(trifluoromethyl)-1,4-dihydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonyl)-7-butyl-3-(trifluoromethyl)-1,4-dihydroisoquinoline-3-carboxylate Traditional Name: 2-besyl-7-butyl-3-(trifluoromethyl)-1,4-dihydroisoquinoline-3-carboxylic acid methyl ester Formula: C22H24F3NO4S MolecularWeight: 455.49047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(CC(N(C2)S(=O)(=O)C3=CC=CC=C3)(C(=O)OC)C(F)(F)F)C=C1

Isomeric SMILES

CCCCC1=CC2=C(CC(N(C2)S(=O)(=O)C3=CC=CC=C3)(C(=O)OC)C(F)(F)F)C=C1

InChI

InChI=1S/C22H24F3NO4S/c1-3-4-8-16-11-12-17-14-21(20(27)30-2,22(23,24)25)26(15-18(17)13-16)31(28,29)19-9-6-5-7-10-19/h5-7,9-13H,3-4,8,14-15H2,1-2H3