N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-2-[methylsulfonyl(phenyl)amino]butanamide

Systemtic Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-2-[methylsulfonyl(phenyl)amino]butanamide Openeye Name: 2-(N-methylsulfonylanilino)-N-[2-(m-tolylmethylsulfanyl)ethyl]butanamide CAS Name: N-[2-[(3-methylphenyl)methylthio]ethyl]-2-(N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-2-(N-methylsulfonylanilino)butanamide Traditional Name: 2-(N-mesylanilino)-N-[2-[(3-methylbenzyl)thio]ethyl]butyramide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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