(3S)-2-ethylsulfonyl-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-ethylsulfonyl-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-ethylsulfonyl-N-[2-(3-fluoroanilino)-2-oxo-ethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-ethylsulfonyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-ethylsulfonyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-esyl-N-[2-(3-fluoroanilino)-2-keto-ethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H24FN3O4S MolecularWeight: 433.496363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O4S/c1-3-30(28,29)25-13-16-8-5-4-7-15(16)11-19(25)21(27)24(2)14-20(26)23-18-10-6-9-17(22)12-18/h4-10,12,19H,3,11,13-14H2,1-2H3,(H,23,26)/t19-/m0/s1