2-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]-N-prop-2-enyl-benzamide

Systemtic Name: 2-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[[2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetyl]amino]benzamide CAS Name: 2-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetyl]amino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[[2-(N-mesyl-2-methyl-5-nitro-anilino)acetyl]amino]benzamide Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=CC=C2C(=O)NCC=C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=CC=C2C(=O)NCC=C)S(=O)(=O)C

InChI

InChI=1S/C20H22N4O6S/c1-4-11-21-20(26)16-7-5-6-8-17(16)22-19(25)13-23(31(3,29)30)18-12-15(24(27)28)10-9-14(18)2/h4-10,12H,1,11,13H2,2-3H3,(H,21,26)(H,22,25)