N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-fluoranyl-benzamide Openeye Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-fluoro-benzamide CAS Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-fluorobenzamide IUPAC Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-fluorobenzamide Traditional Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-fluoro-benzamide Formula: C22H18ClFN2O3S MolecularWeight: 444.906323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)F)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)F)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

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