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

Systemtic Name: 2-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[2-(3,5-dimethyl-N-methylsulfonyl-anilino)propanoylamino]benzamide CAS Name: 2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[2-(3,5-dimethyl-N-methylsulfonylanilino)propanoylamino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[2-(N-mesyl-3,5-dimethyl-anilino)propanoylamino]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-6-11-23-22(27)19-9-7-8-10-20(19)24-21(26)17(4)25(30(5,28)29)18-13-15(2)12-16(3)14-18/h6-10,12-14,17H,1,11H2,2-5H3,(H,23,27)(H,24,26)