N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-4-fluoranyl-3-methyl-benzenesulfonamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-4-fluoranyl-3-methyl-benzenesulfonamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-fluoro-3-methyl-benzenesulfonamide CAS Name: N-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-fluoro-3-methyl-benzenesulfonamide Formula: C23H21FN2O3S MolecularWeight: 424.487843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)F

InChI

InChI=1S/C23H21FN2O3S/c1-16-14-21(10-11-22(16)24)30(28,29)25-20-8-6-18(7-9-20)23(27)26-13-12-17-4-2-3-5-19(17)15-26/h2-11,14,25H,12-13,15H2,1H3