2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-(4-prop-2-enoxyphenyl)ethanamide

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-(4-prop-2-enoxyphenyl)ethanamide Openeye Name: N-(4-allyloxyphenyl)-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-(4-prop-2-enoxyphenyl)acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-(4-prop-2-enoxyphenyl)acetamide Traditional Name: N-(4-allyloxyphenyl)-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=C(C=C2)OCC=C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=C(C=C2)OCC=C)S(=O)(=O)C

InChI

InChI=1S/C19H21N3O6S/c1-4-11-28-17-9-6-15(7-10-17)20-19(23)13-21(29(3,26)27)18-12-16(22(24)25)8-5-14(18)2/h4-10,12H,1,11,13H2,2-3H3,(H,20,23)