3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoranyl-N-(4-propan-2-ylphenyl)benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoranyl-N-(4-propan-2-ylphenyl)benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-N-(4-isopropylphenyl)benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-N-p-cumenyl-benzamide Formula: C25H25FN2O3S MolecularWeight: 452.541003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H25FN2O3S/c1-17(2)18-7-10-22(11-8-18)27-25(29)20-9-12-23(26)24(15-20)32(30,31)28-14-13-19-5-3-4-6-21(19)16-28/h3-12,15,17H,13-14,16H2,1-2H3,(H,27,29)