2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]benzamide

Systemtic Name: 2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]benzamide Openeye Name: 2-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]benzamide CAS Name: 2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzamide IUPAC Name: 2-[2-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide Traditional Name: 2-[2-(N-mesyl-3,4-dimethyl-anilino)butanoylamino]benzamide Formula: C20H25N3O4S MolecularWeight: 403.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)N)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)N)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O4S/c1-5-18(20(25)22-17-9-7-6-8-16(17)19(21)24)23(28(4,26)27)15-11-10-13(2)14(3)12-15/h6-12,18H,5H2,1-4H3,(H2,21,24)(H,22,25)