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

Systemtic Name: N-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-chloro-4-fluoro-benzyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H22ClFN2O4S MolecularWeight: 488.958883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C24H22ClFN2O4S/c1-32-19-7-9-20(10-8-19)33(30,31)28-15-18-5-3-2-4-17(18)13-23(28)24(29)27-14-16-6-11-22(26)21(25)12-16/h2-12,23H,13-15H2,1H3,(H,27,29)