N-[2-azanyl-3-(4-fluorophenyl)carbonyl-4-(2-methylsulfanylethyl)phenyl]sulfonylethanamide

Systemtic Name: N-[2-azanyl-3-(4-fluorophenyl)carbonyl-4-(2-methylsulfanylethyl)phenyl]sulfonylethanamide Openeye Name: N-[2-amino-3-(4-fluorobenzoyl)-4-(2-methylsulfanylethyl)phenyl]sulfonylacetamide CAS Name: N-[2-amino-3-[(4-fluorophenyl)-oxomethyl]-4-[2-(methylthio)ethyl]phenyl]sulfonylacetamide IUPAC Name: N-[2-amino-3-(4-fluorobenzoyl)-4-(2-methylsulfanylethyl)phenyl]sulfonylacetamide Traditional Name: N-[2-amino-3-(4-fluorobenzoyl)-4-[2-(methylthio)ethyl]phenyl]sulfonylacetamide Formula: C18H19FN2O4S2 MolecularWeight: 410.482863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=C(C(=C(C=C1)CCSC)C(=O)C2=CC=C(C=C2)F)N

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=C(C(=C(C=C1)CCSC)C(=O)C2=CC=C(C=C2)F)N

InChI

InChI=1S/C18H19FN2O4S2/c1-11(22)21-27(24,25)15-8-5-12(9-10-26-2)16(17(15)20)18(23)13-3-6-14(19)7-4-13/h3-8H,9-10,20H2,1-2H3,(H,21,22)