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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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