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

Systemtic Name: N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoranyl-benzamide Openeye Name: N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-benzamide CAS Name: N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluorobenzamide IUPAC Name: N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluorobenzamide Traditional Name: N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-benzamide Formula: C22H18ClFN2O3S MolecularWeight: 444.906323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)Cl)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)Cl)F

InChI

InChI=1S/C22H18ClFN2O3S/c23-18-6-3-7-19(13-18)25-22(27)16-8-9-20(24)21(12-16)30(28,29)26-11-10-15-4-1-2-5-17(15)14-26/h1-9,12-13H,10-11,14H2,(H,25,27)