2-[methylsulfonyl-(3-nitrophenyl)amino]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-propan-2-ylacetamide IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O5S/c1-9(2)13-12(16)8-14(21(3,19)20)10-5-4-6-11(7-10)15(17)18/h4-7,9H,8H2,1-3H3,(H,13,16)