N-(4-methylphenyl)-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-(4-methylphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-(p-tolyl)acetamide Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S/c1-12-6-8-13(9-7-12)17-16(20)11-18(25(2,23)24)14-4-3-5-15(10-14)19(21)22/h3-10H,11H2,1-2H3,(H,17,20)