(3R)-3-azanyl-4-(2-fluorophenyl)-N-[1-[(4-methylsulfonylphenyl)methyl]-2-oxidanylidene-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide dichloride

Systemtic Name: (3R)-3-azanyl-4-(2-fluorophenyl)-N-[1-[(4-methylsulfonylphenyl)methyl]-2-oxidanylidene-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide dichloride Openeye Name: (3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-methylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide dichloride CAS Name: (3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-methylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide dichloride IUPAC Name: (3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-methylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide dichloride Traditional Name: (3R)-3-amino-4-(2-fluorophenyl)-N-[2-keto-1-(4-mesylbenzyl)-3,4-dihydro-1,5-naphthyridin-3-yl]butyramide dichloride Formula: C26H27Cl2FN4O4S-2 MolecularWeight: 581.486383

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C3=C(CC(C2=O)NC(=O)CC(CC4=CC=CC=C4F)N)N=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C3=C(CC(C2=O)NC(=O)C[C@@H](CC4=CC=CC=C4F)N)N=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C26H27FN4O4S.2ClH/c1-36(34,35)20-10-8-17(9-11-20)16-31-24-7-4-12-29-22(24)15-23(26(31)33)30-25(32)14-19(28)13-18-5-2-3-6-21(18)27;;/h2-12,19,23H,13-16,28H2,1H3,(H,30,32);2*1H/p-2/t19-,23?;;/m1../s1