2-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]-N-(6-methoxypyridin-3-yl)-4-methylsulfanyl-butanamide

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]-N-(6-methoxypyridin-3-yl)-4-methylsulfanyl-butanamide Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)sulfonylamino]-N-(6-methoxy-3-pyridyl)-4-methylsulfanyl-butanamide CAS Name: 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(6-methoxy-3-pyridinyl)-4-(methylthio)butanamide IUPAC Name: 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(6-methoxypyridin-3-yl)-4-methylsulfanylbutanamide Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)sulfonylamino]-N-(6-methoxy-3-pyridyl)-4-(methylthio)butyramide Formula: C17H19ClFN3O4S2 MolecularWeight: 447.931863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

COC1=NC=C(C=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H19ClFN3O4S2/c1-26-16-6-3-11(10-20-16)21-17(23)15(7-8-27-2)22-28(24,25)12-4-5-14(19)13(18)9-12/h3-6,9-10,15,22H,7-8H2,1-2H3,(H,21,23)