N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-2-esyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H22ClFN2O3S MolecularWeight: 424.916683

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H22ClFN2O3S/c1-3-28(26,27)24-12-15-8-5-4-7-14(15)11-19(24)20(25)23(2)13-16-17(21)9-6-10-18(16)22/h4-10,19H,3,11-13H2,1-2H3