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

Systemtic Name: 4-(butan-2-ylamino)-N,N,2-trimethyl-3,5-dinitro-benzenesulfonamide Openeye Name: N,N,2-trimethyl-3,5-dinitro-4-(sec-butylamino)benzenesulfonamide CAS Name: 4-(butan-2-ylamino)-N,N,2-trimethyl-3,5-dinitrobenzenesulfonamide IUPAC Name: 4-(butan-2-ylamino)-N,N,2-trimethyl-3,5-dinitrobenzenesulfonamide Traditional Name: N,N,2-trimethyl-3,5-dinitro-4-(sec-butylamino)benzenesulfonamide Formula: C13H20N4O6S MolecularWeight: 360.3861

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C(=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O6S/c1-6-8(2)14-12-10(16(18)19)7-11(24(22,23)15(4)5)9(3)13(12)17(20)21/h7-8,14H,6H2,1-5H3