N-butyl-4-[4-(butylamino)-3-nitro-phenyl]sulfonyl-2-nitro-aniline

Systemtic Name: N-butyl-4-[4-(butylamino)-3-nitro-phenyl]sulfonyl-2-nitro-aniline Openeye Name: N-butyl-4-[4-(butylamino)-3-nitro-phenyl]sulfonyl-2-nitro-aniline CAS Name: N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline IUPAC Name: N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline Traditional Name: butyl-[4-[4-(butylamino)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]amine Formula: C20H26N4O6S MolecularWeight: 450.50864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O6S/c1-3-5-11-21-17-9-7-15(13-19(17)23(25)26)31(29,30)16-8-10-18(22-12-6-4-2)20(14-16)24(27)28/h7-10,13-14,21-22H,3-6,11-12H2,1-2H3