2-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-N-(2-methylpropyl)benzamide

Systemtic Name: 2-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-N-(2-methylpropyl)benzamide Openeye Name: 2-[2-(3,5-dimethyl-N-methylsulfonyl-anilino)propanoylamino]-N-isobutyl-benzamide CAS Name: 2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-N-(2-methylpropyl)benzamide IUPAC Name: 2-[2-(3,5-dimethyl-N-methylsulfonylanilino)propanoylamino]-N-(2-methylpropyl)benzamide Traditional Name: N-isobutyl-2-[2-(N-mesyl-3,5-dimethyl-anilino)propanoylamino]benzamide Formula: C23H31N3O4S MolecularWeight: 445.57494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C(C)C(=O)NC2=CC=CC=C2C(=O)NCC(C)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C(C)C(=O)NC2=CC=CC=C2C(=O)NCC(C)C)S(=O)(=O)C)C

InChI

InChI=1S/C23H31N3O4S/c1-15(2)14-24-23(28)20-9-7-8-10-21(20)25-22(27)18(5)26(31(6,29)30)19-12-16(3)11-17(4)13-19/h7-13,15,18H,14H2,1-6H3,(H,24,28)(H,25,27)