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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoranyl-N-(3-methylphenyl)benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-N-(m-tolyl)benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-N-(3-methylphenyl)benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-N-(3-methylphenyl)benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-N-(m-tolyl)benzamide Formula: C23H21FN2O3S MolecularWeight: 424.487843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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