2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[2-(phenylmethylsulfanyl)ethyl]butanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[2-(phenylmethylsulfanyl)ethyl]butanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(phenylmethylthio)ethyl]butanamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSCC1=CC=CC=C1)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSCC1=CC=CC=C1)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C22H30N2O3S2/c1-5-21(22(25)23-13-14-28-16-19-9-7-6-8-10-19)24(29(4,26)27)20-12-11-17(2)18(3)15-20/h6-12,15,21H,5,13-14,16H2,1-4H3,(H,23,25)