N-(2-methoxy-5-methyl-phenyl)-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C17H19N3O6S/c1-12-7-8-16(26-2)15(9-12)18-17(21)11-19(27(3,24)25)13-5-4-6-14(10-13)20(22)23/h4-10H,11H2,1-3H3,(H,18,21)