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

Systemtic Name: (3R)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C17H13F3NO4S- MolecularWeight: 384.34963

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C17H14F3NO4S/c18-17(19,20)13-7-3-4-8-15(13)26(24,25)21-10-12-6-2-1-5-11(12)9-14(21)16(22)23/h1-8,14H,9-10H2,(H,22,23)/p-1/t14-/m1/s1