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

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-(cyclohexylthio)ethyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(cyclohexylthio)ethyl]-2-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C21H34N2O3S2 MolecularWeight: 426.63626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSC1CCCCC1)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSC1CCCCC1)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C21H34N2O3S2/c1-5-20(21(24)22-13-14-27-19-9-7-6-8-10-19)23(28(4,25)26)18-12-11-16(2)17(3)15-18/h11-12,15,19-20H,5-10,13-14H2,1-4H3,(H,22,24)