N-butyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)butanamide

Systemtic Name: N-butyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)butanamide Openeye Name: N-butyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)butanamide CAS Name: N-butyl-N-(4-methylsulfonyl-2,6-dinitrophenyl)butanamide IUPAC Name: N-butyl-N-(4-methylsulfonyl-2,6-dinitrophenyl)butanamide Traditional Name: N-butyl-N-(4-mesyl-2,6-dinitro-phenyl)butyramide Formula: C15H21N3O7S MolecularWeight: 387.40814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-])C(=O)CCC

Isomeric SMILES

CCCCN(C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-])C(=O)CCC

InChI

InChI=1S/C15H21N3O7S/c1-4-6-8-16(14(19)7-5-2)15-12(17(20)21)9-11(26(3,24)25)10-13(15)18(22)23/h9-10H,4-8H2,1-3H3