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

Systemtic Name: 3-chloranyl-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 3-chloro-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 3-chloro-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 3-chloro-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 3-chloro-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]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)Cl)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

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