N-(2-cyclohexylsulfanylethyl)-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(2-cyclohexylsulfanylethyl)-4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-(cyclohexylthio)ethyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(2-cyclohexylsulfanylethyl)-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(cyclohexylthio)ethyl]-4-(N-mesyl-2,5-dimethyl-anilino)butyramide Formula: C21H34N2O3S2 MolecularWeight: 426.63626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CCCC(=O)NCCSC2CCCCC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CCCC(=O)NCCSC2CCCCC2)S(=O)(=O)C

InChI

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