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

Systemtic Name: (3S)-2-(3-fluoranyl-4-methoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(3-fluoro-4-methoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(3-fluoro-4-methoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C17H17FN2O4S MolecularWeight: 364.391283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N)F

InChI

InChI=1S/C17H17FN2O4S/c1-24-16-7-6-13(9-14(16)18)25(22,23)20-10-12-5-3-2-4-11(12)8-15(20)17(19)21/h2-7,9,15H,8,10H2,1H3,(H2,19,21)/t15-/m0/s1