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

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-(3-morpholin-4-ylpropyl)ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-(3-morpholinopropyl)acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[3-(4-morpholinyl)propyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-(3-morpholin-4-ylpropyl)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-(3-morpholinopropyl)acetamide Formula: C16H24N4O6S MolecularWeight: 400.44996

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O6S/c1-27(24,25)19(14-4-2-5-15(12-14)20(22)23)13-16(21)17-6-3-7-18-8-10-26-11-9-18/h2,4-5,12H,3,6-11,13H2,1H3,(H,17,21)