2-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoylamino]-N-prop-2-enyl-benzamide

Systemtic Name: 2-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[2-(4-methyl-N-methylsulfonyl-anilino)propanoylamino]benzamide CAS Name: 2-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[2-(4-methyl-N-methylsulfonylanilino)propanoylamino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[2-(N-mesyl-4-methyl-anilino)propanoylamino]benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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