N-[3-[(4-ethanoyl-2-nitro-phenyl)amino]propyl]methanesulfonamide

Systemtic Name: N-[3-[(4-ethanoyl-2-nitro-phenyl)amino]propyl]methanesulfonamide Openeye Name: N-[3-(4-acetyl-2-nitro-anilino)propyl]methanesulfonamide CAS Name: N-[3-(4-acetyl-2-nitroanilino)propyl]methanesulfonamide IUPAC Name: N-[3-(4-acetyl-2-nitroanilino)propyl]methanesulfonamide Traditional Name: N-[3-(4-acetyl-2-nitro-anilino)propyl]methanesulfonamide Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCCCNS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCCCNS(=O)(=O)C)[N+](=O)[O-]

InChI

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