2-[4-[methylsulfonyl(phenyl)amino]butanoylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[4-[methylsulfonyl(phenyl)amino]butanoylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[4-(N-methylsulfonylanilino)butanoylamino]benzamide CAS Name: 2-[[4-(N-methylsulfonylanilino)-1-oxobutyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[4-(N-methylsulfonylanilino)butanoylamino]benzamide Traditional Name: N-benzyl-2-[4-(N-mesylanilino)butanoylamino]benzamide Formula: C25H27N3O4S MolecularWeight: 465.56458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NC1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NC1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O4S/c1-33(31,32)28(21-13-6-3-7-14-21)18-10-17-24(29)27-23-16-9-8-15-22(23)25(30)26-19-20-11-4-2-5-12-20/h2-9,11-16H,10,17-19H2,1H3,(H,26,30)(H,27,29)