(3S)-N-(4-acetamidophenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(4-acetamidophenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(4-acetamidophenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(4-acetamidophenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(4-acetamidophenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-acetamidophenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H22FN3O4S MolecularWeight: 467.512583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C24H22FN3O4S/c1-16(29)26-19-10-12-20(13-11-19)27-24(30)22-14-17-6-2-3-7-18(17)15-28(22)33(31,32)23-9-5-4-8-21(23)25/h2-13,22H,14-15H2,1H3,(H,26,29)(H,27,30)/t22-/m0/s1