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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSCC1=CC=CO1)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSCC1=CC=CO1)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C20H28N2O4S2/c1-5-19(20(23)21-10-12-27-14-18-7-6-11-26-18)22(28(4,24)25)17-9-8-15(2)16(3)13-17/h6-9,11,13,19H,5,10,12,14H2,1-4H3,(H,21,23)