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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSC1=CC=CC=C1)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSC1=CC=CC=C1)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

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