N-(4-methylsulfonyl-2,6-dinitro-phenyl)-N-propyl-propanamide

Systemtic Name: N-(4-methylsulfonyl-2,6-dinitro-phenyl)-N-propyl-propanamide Openeye Name: N-(4-methylsulfonyl-2,6-dinitro-phenyl)-N-propyl-propanamide CAS Name: N-(4-methylsulfonyl-2,6-dinitrophenyl)-N-propylpropanamide IUPAC Name: N-(4-methylsulfonyl-2,6-dinitrophenyl)-N-propylpropanamide Traditional Name: N-(4-mesyl-2,6-dinitro-phenyl)-N-propyl-propionamide Formula: C13H17N3O7S MolecularWeight: 359.35498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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