4-(dibutylamino)-N-(4-methoxyphenyl)-3,5-dinitro-benzenesulfonamide

Systemtic Name: 4-(dibutylamino)-N-(4-methoxyphenyl)-3,5-dinitro-benzenesulfonamide Openeye Name: 4-(dibutylamino)-N-(4-methoxyphenyl)-3,5-dinitro-benzenesulfonamide CAS Name: 4-(dibutylamino)-N-(4-methoxyphenyl)-3,5-dinitrobenzenesulfonamide IUPAC Name: 4-(dibutylamino)-N-(4-methoxyphenyl)-3,5-dinitrobenzenesulfonamide Traditional Name: 4-(dibutylamino)-N-(4-methoxyphenyl)-3,5-dinitro-benzenesulfonamide Formula: C21H28N4O7S MolecularWeight: 480.53462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O7S/c1-4-6-12-23(13-7-5-2)21-19(24(26)27)14-18(15-20(21)25(28)29)33(30,31)22-16-8-10-17(32-3)11-9-16/h8-11,14-15,22H,4-7,12-13H2,1-3H3