N-[4-methylsulfanyl-1-(methylsulfonylamino)-1-oxidanylidene-butan-2-yl]-2-phenyl-4-(pyridin-3-yloxymethyl)benzamide

Systemtic Name: N-[4-methylsulfanyl-1-(methylsulfonylamino)-1-oxidanylidene-butan-2-yl]-2-phenyl-4-(pyridin-3-yloxymethyl)benzamide Openeye Name: N-[3-methylsulfanyl-1-(methylsulfonylcarbamoyl)propyl]-2-phenyl-4-(3-pyridyloxymethyl)benzamide CAS Name: N-[1-(methanesulfonamido)-4-(methylthio)-1-oxobutan-2-yl]-2-phenyl-4-(3-pyridinyloxymethyl)benzamide IUPAC Name: N-[1-(methanesulfonamido)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-yloxymethyl)benzamide Traditional Name: N-[1-(mesylcarbamoyl)-3-(methylthio)propyl]-2-phenyl-4-(3-pyridyloxymethyl)benzamide Formula: C25H27N3O5S2 MolecularWeight: 513.62898

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NS(=O)(=O)C)NC(=O)C1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)NS(=O)(=O)C)NC(=O)C1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O5S2/c1-34-14-12-23(25(30)28-35(2,31)32)27-24(29)21-11-10-18(17-33-20-9-6-13-26-16-20)15-22(21)19-7-4-3-5-8-19/h3-11,13,15-16,23H,12,14,17H2,1-2H3,(H,27,29)(H,28,30)