4-[(4-methylphenyl)-methylsulfonyl-amino]-N-[2-(phenylmethylsulfanyl)ethyl]butanamide

Systemtic Name: 4-[(4-methylphenyl)-methylsulfonyl-amino]-N-[2-(phenylmethylsulfanyl)ethyl]butanamide Openeye Name: N-(2-benzylsulfanylethyl)-4-(4-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: 4-(4-methyl-N-methylsulfonylanilino)-N-[2-(phenylmethylthio)ethyl]butanamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(benzylthio)ethyl]-4-(N-mesyl-4-methyl-anilino)butyramide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S2/c1-18-10-12-20(13-11-18)23(28(2,25)26)15-6-9-21(24)22-14-16-27-17-19-7-4-3-5-8-19/h3-5,7-8,10-13H,6,9,14-17H2,1-2H3,(H,22,24)