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

Systemtic Name: 2-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[2-(3,5-dimethyl-N-methylsulfonyl-anilino)propanoylamino]-N-(2-furylmethyl)benzamide CAS Name: 2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[2-(3,5-dimethyl-N-methylsulfonylanilino)propanoylamino]-N-(furan-2-ylmethyl)benzamide Traditional Name: N-(2-furfuryl)-2-[2-(N-mesyl-3,5-dimethyl-anilino)propanoylamino]benzamide Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C(C)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C(C)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)C)C

InChI

InChI=1S/C24H27N3O5S/c1-16-12-17(2)14-19(13-16)27(33(4,30)31)18(3)23(28)26-22-10-6-5-9-21(22)24(29)25-15-20-8-7-11-32-20/h5-14,18H,15H2,1-4H3,(H,25,29)(H,26,28)