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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)CC#N)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)CC#N)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O3S/c1-5-20(21(25)23-18-9-7-17(8-10-18)12-13-22)24(28(4,26)27)19-11-6-15(2)16(3)14-19/h6-11,14,20H,5,12H2,1-4H3,(H,23,25)