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

Systemtic Name: N-[(2-methylphenyl)methyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-(o-tolylmethyl)acetamide CAS Name: N-[(2-methylphenyl)methyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[(2-methylphenyl)methyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-(2-methylbenzyl)acetamide Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C17H19N3O5S/c1-13-6-3-4-7-14(13)11-18-17(21)12-19(26(2,24)25)15-8-5-9-16(10-15)20(22)23/h3-10H,11-12H2,1-2H3,(H,18,21)