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

Systemtic Name: (3S)-2-(3-chloranyl-2-fluoranyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(3-chloro-2-fluoro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(3-chloro-2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3-chloro-2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(3-chloro-2-fluoro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C16H14ClFN2O3S MolecularWeight: 368.810363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClFN2O3S/c17-12-6-3-7-14(15(12)18)24(22,23)20-9-11-5-2-1-4-10(11)8-13(20)16(19)21/h1-7,13H,8-9H2,(H2,19,21)/t13-/m0/s1