N-[[2-(methoxymethyl)phenyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: N-[[2-(methoxymethyl)phenyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-[[2-(methoxymethyl)phenyl]methyl]-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-[[2-(methoxymethyl)phenyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-[[2-(methoxymethyl)phenyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-[2-(methoxymethyl)benzyl]-4-(methylthio)-2-(tosylamino)butyramide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=CC=CC=C2COC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=CC=CC=C2COC

InChI

InChI=1S/C21H28N2O4S2/c1-16-8-10-19(11-9-16)29(25,26)23-20(12-13-28-3)21(24)22-14-17-6-4-5-7-18(17)15-27-2/h4-11,20,23H,12-15H2,1-3H3,(H,22,24)