N,N,2-trimethyl-3,5-dinitro-4-(pentylamino)benzenesulfonamide

Systemtic Name: N,N,2-trimethyl-3,5-dinitro-4-(pentylamino)benzenesulfonamide Openeye Name: N,N,2-trimethyl-3,5-dinitro-4-(pentylamino)benzenesulfonamide CAS Name: N,N,2-trimethyl-3,5-dinitro-4-(pentylamino)benzenesulfonamide IUPAC Name: N,N,2-trimethyl-3,5-dinitro-4-(pentylamino)benzenesulfonamide Traditional Name: 4-(amylamino)-N,N,2-trimethyl-3,5-dinitro-benzenesulfonamide Formula: C14H22N4O6S MolecularWeight: 374.41268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C(=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC1=C(C(=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H22N4O6S/c1-5-6-7-8-15-13-11(17(19)20)9-12(25(23,24)16(3)4)10(2)14(13)18(21)22/h9,15H,5-8H2,1-4H3