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

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClFN2O3S/c17-13-8-12(5-6-14(13)18)24(22,23)20-9-11-4-2-1-3-10(11)7-15(20)16(19)21/h1-6,8,15H,7,9H2,(H2,19,21)/t15-/m0/s1