(3R)-2-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C17H12ClF3NO4S- MolecularWeight: 418.79469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C17H13ClF3NO4S/c18-14-6-5-12(8-13(14)17(19,20)21)27(25,26)22-9-11-4-2-1-3-10(11)7-15(22)16(23)24/h1-6,8,15H,7,9H2,(H,23,24)/p-1/t15-/m1/s1