2-[(4-methylsulfonyl-2-nitro-phenyl)amino]-N-propyl-ethanamide

Systemtic Name: 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]-N-propyl-ethanamide Openeye Name: 2-(4-methylsulfonyl-2-nitro-anilino)-N-propyl-acetamide CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)-N-propylacetamide IUPAC Name: 2-(4-methylsulfonyl-2-nitroanilino)-N-propylacetamide Traditional Name: 2-(4-mesyl-2-nitro-anilino)-N-propyl-acetamide Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

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