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

Systemtic Name: 4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide Openeye Name: 4-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[2-(2-furylmethylsulfanyl)ethyl]butanamide CAS Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(2-furanylmethylthio)ethyl]butanamide IUPAC Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-4-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C20H28N2O4S2 MolecularWeight: 424.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCCC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCCC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C)C

InChI

InChI=1S/C20H28N2O4S2/c1-16-8-9-18(14-17(16)2)22(28(3,24)25)11-4-7-20(23)21-10-13-27-15-19-6-5-12-26-19/h5-6,8-9,12,14H,4,7,10-11,13,15H2,1-3H3,(H,21,23)