4-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoranyl-phenyl]benzamide

Systemtic Name: 4-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoranyl-phenyl]benzamide Openeye Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoro-phenyl]benzamide CAS Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluorophenyl]benzamide IUPAC Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluorophenyl]benzamide Traditional Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoro-phenyl]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=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)F

Isomeric SMILES

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

InChI

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