N1,N1-diethyl-N4-[2-nitro-4-(4-nitrophenyl)sulfonyl-phenyl]pentane-1,4-diamine

Systemtic Name: N1,N1-diethyl-N4-[2-nitro-4-(4-nitrophenyl)sulfonyl-phenyl]pentane-1,4-diamine Openeye Name: N1,N1-diethyl-N4-[2-nitro-4-(4-nitrophenyl)sulfonyl-phenyl]pentane-1,4-diamine CAS Name: N1,N1-diethyl-N4-[2-nitro-4-(4-nitrophenyl)sulfonylphenyl]pentane-1,4-diamine IUPAC Name: 1-N,1-N-diethyl-4-N-[2-nitro-4-(4-nitrophenyl)sulfonylphenyl]pentane-1,4-diamine Traditional Name: diethyl-[4-(2-nitro-4-nosyl-anilino)pentyl]amine Formula: C21H28N4O6S MolecularWeight: 464.53522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCC(C)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O6S/c1-4-23(5-2)14-6-7-16(3)22-20-13-12-19(15-21(20)25(28)29)32(30,31)18-10-8-17(9-11-18)24(26)27/h8-13,15-16,22H,4-7,14H2,1-3H3