N-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-chloro-4-fluoro-benzyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H19ClF2N2O3S MolecularWeight: 476.923366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H19ClF2N2O3S/c24-20-11-15(5-10-21(20)26)13-27-23(29)22-12-16-3-1-2-4-17(16)14-28(22)32(30,31)19-8-6-18(25)7-9-19/h1-11,22H,12-14H2,(H,27,29)