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

Systemtic Name: N-(4-ethanoylphenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H21FN2O4S MolecularWeight: 452.497943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H21FN2O4S/c1-16(28)17-6-10-21(11-7-17)26-24(29)23-14-18-4-2-3-5-19(18)15-27(23)32(30,31)22-12-8-20(25)9-13-22/h2-13,23H,14-15H2,1H3,(H,26,29)