2-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]-N-prop-2-enyl-benzamide

Systemtic Name: 2-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[[2-(3,5-dimethyl-N-methylsulfonyl-anilino)acetyl]amino]benzamide CAS Name: 2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[[2-(N-mesyl-3,5-dimethyl-anilino)acetyl]amino]benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-5-10-22-21(26)18-8-6-7-9-19(18)23-20(25)14-24(29(4,27)28)17-12-15(2)11-16(3)13-17/h5-9,11-13H,1,10,14H2,2-4H3,(H,22,26)(H,23,25)