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

Systemtic Name: 2-[4-chloranyl-2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C17H14ClF3N2O3S MolecularWeight: 418.81787

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClF3N2O3S/c18-12-5-6-15(13(8-12)17(19,20)21)27(25,26)23-9-11-4-2-1-3-10(11)7-14(23)16(22)24/h1-6,8,14H,7,9H2,(H2,22,24)