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

Systemtic Name: 2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]-N-(2-furylmethyl)benzamide CAS Name: 2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[2-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-(furan-2-ylmethyl)benzamide Traditional Name: N-(2-furfuryl)-2-[2-(N-mesyl-3,4-dimethyl-anilino)butanoylamino]benzamide Formula: C25H29N3O5S MolecularWeight: 483.57986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)NCC2=CC=CO2)N(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)NCC2=CC=CO2)N(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

InChI

InChI=1S/C25H29N3O5S/c1-5-23(28(34(4,31)32)19-13-12-17(2)18(3)15-19)25(30)27-22-11-7-6-10-21(22)24(29)26-16-20-9-8-14-33-20/h6-15,23H,5,16H2,1-4H3,(H,26,29)(H,27,30)