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

Systemtic Name: N-butyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)ethanamide Openeye Name: N-butyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)acetamide CAS Name: N-butyl-N-(4-methylsulfonyl-2,6-dinitrophenyl)acetamide IUPAC Name: N-butyl-N-(4-methylsulfonyl-2,6-dinitrophenyl)acetamide Traditional Name: N-butyl-N-(4-mesyl-2,6-dinitro-phenyl)acetamide Formula: C13H17N3O7S MolecularWeight: 359.35498

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O7S/c1-4-5-6-14(9(2)17)13-11(15(18)19)7-10(24(3,22)23)8-12(13)16(20)21/h7-8H,4-6H2,1-3H3