N-[2,6-bis(fluoranyl)phenyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2,6-bis(fluoranyl)phenyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2,6-difluorophenyl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(2,6-difluorophenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2,6-difluorophenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2,6-difluorophenyl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H16F2N2O3S2 MolecularWeight: 434.479446

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)NC4=C(C=CC=C4F)F

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)NC4=C(C=CC=C4F)F

InChI

InChI=1S/C20H16F2N2O3S2/c21-15-7-3-8-16(22)19(15)23-20(25)17-11-13-5-1-2-6-14(13)12-24(17)29(26,27)18-9-4-10-28-18/h1-10,17H,11-12H2,(H,23,25)