2-[2-[(2,5-dimethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]-N-prop-2-enyl-benzamide

Systemtic Name: 2-[2-[(2,5-dimethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[[2-(2,5-dimethoxy-N-methylsulfonyl-anilino)acetyl]amino]benzamide CAS Name: 2-[[2-(2,5-dimethoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[[2-(2,5-dimethoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[[2-(N-mesyl-2,5-dimethoxy-anilino)acetyl]amino]benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CC=CC=C2C(=O)NCC=C)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CC=CC=C2C(=O)NCC=C)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O6S/c1-5-12-22-21(26)16-8-6-7-9-17(16)23-20(25)14-24(31(4,27)28)18-13-15(29-2)10-11-19(18)30-3/h5-11,13H,1,12,14H2,2-4H3,(H,22,26)(H,23,25)