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

Systemtic Name: (3S)-N-[3,5-bis(fluoranyl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(3,5-difluorophenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(3,5-difluorophenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(3,5-difluorophenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(3,5-difluorophenyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H18F2N2O3S MolecularWeight: 380.408926

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=CC(=C3)F)F

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=CC(=CC(=C3)F)F

InChI

InChI=1S/C18H18F2N2O3S/c1-2-26(24,25)22-11-13-6-4-3-5-12(13)7-17(22)18(23)21-16-9-14(19)8-15(20)10-16/h3-6,8-10,17H,2,7,11H2,1H3,(H,21,23)/t17-/m0/s1