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

Systemtic Name: (3S)-2-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[4-chloro-3-(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=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N

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)N

InChI

InChI=1S/C17H14ClF3N2O3S/c18-14-6-5-12(8-13(14)17(19,20)21)27(25,26)23-9-11-4-2-1-3-10(11)7-15(23)16(22)24/h1-6,8,15H,7,9H2,(H2,22,24)/t15-/m0/s1