N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-[2-(o-tolylmethylsulfanyl)ethyl]butanamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylthio]ethyl]butanamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-[2-[(2-methylbenzyl)thio]ethyl]butyramide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSCC1=CC=CC=C1C)N(C2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSCC1=CC=CC=C1C)N(C2=CC=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C22H30N2O3S2/c1-5-21(24(29(4,26)27)20-12-10-17(2)11-13-20)22(25)23-14-15-28-16-19-9-7-6-8-18(19)3/h6-13,21H,5,14-16H2,1-4H3,(H,23,25)