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

Systemtic Name: (3R)-N-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-[2-(4-fluoroanilino)-2-oxo-ethyl]-N-methyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-[2-(4-fluoroanilino)-2-keto-ethyl]-2-mesyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H22FN3O4S MolecularWeight: 419.469783

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)[C@H]2CC3=CC=CC=C3CN2S(=O)(=O)C

InChI

InChI=1S/C20H22FN3O4S/c1-23(13-19(25)22-17-9-7-16(21)8-10-17)20(26)18-11-14-5-3-4-6-15(14)12-24(18)29(2,27)28/h3-10,18H,11-13H2,1-2H3,(H,22,25)/t18-/m1/s1