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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-4-(N-mesyl-2,5-dimethyl-anilino)butyramide Formula: C21H27ClN2O3S2 MolecularWeight: 455.03368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CCCC(=O)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CCCC(=O)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H27ClN2O3S2/c1-16-6-7-17(2)20(15-16)24(29(3,26)27)13-4-5-21(25)23-12-14-28-19-10-8-18(22)9-11-19/h6-11,15H,4-5,12-14H2,1-3H3,(H,23,25)