4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(2-ethylsulfanylphenyl)butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(2-ethylsulfanylphenyl)butanamide Openeye Name: 4-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(2-ethylsulfanylphenyl)butanamide CAS Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(ethylthio)phenyl]butanamide IUPAC Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide Traditional Name: N-[2-(ethylthio)phenyl]-4-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)CCCN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)CCCN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S2/c1-5-27-20-10-7-6-9-19(20)22-21(24)11-8-14-23(28(4,25)26)18-13-12-16(2)17(3)15-18/h6-7,9-10,12-13,15H,5,8,11,14H2,1-4H3,(H,22,24)