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

Systemtic Name: 2-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H13ClF3NO4S MolecularWeight: 419.80263

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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

C1C(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)