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

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-[methylsulfonyl(phenyl)amino]butanamide Openeye Name: 2-(N-methylsulfonylanilino)-N-[2-(p-tolylmethylsulfanyl)ethyl]butanamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-2-(N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(N-methylsulfonylanilino)butanamide Traditional Name: 2-(N-mesylanilino)-N-[2-[(4-methylbenzyl)thio]ethyl]butyramide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSCC1=CC=C(C=C1)C)N(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSCC1=CC=C(C=C1)C)N(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S2/c1-4-20(23(28(3,25)26)19-8-6-5-7-9-19)21(24)22-14-15-27-16-18-12-10-17(2)11-13-18/h5-13,20H,4,14-16H2,1-3H3,(H,22,24)