N-[2,5-bis(fluoranyl)phenyl]-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2,5-bis(fluoranyl)phenyl]-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2,5-difluorophenyl)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(2,5-difluorophenyl)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2,5-difluorophenyl)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2,5-difluorophenyl)-2-p-phenetylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H22F2N2O4S MolecularWeight: 472.504286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=C(C=CC(=C4)F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=C(C=CC(=C4)F)F

InChI

InChI=1S/C24H22F2N2O4S/c1-2-32-19-8-10-20(11-9-19)33(30,31)28-15-17-6-4-3-5-16(17)13-23(28)24(29)27-22-14-18(25)7-12-21(22)26/h3-12,14,23H,2,13,15H2,1H3,(H,27,29)