2-[[4-[(3,5-dimethylphenyl)amino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[(3,5-dimethylphenyl)amino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(3,5-dimethylanilino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(3,5-dimethylanilino)-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(3,5-dimethylanilino)-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-(3,5-dimethylanilino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C18H25N4O4S+ MolecularWeight: 393.4805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H24N4O4S/c1-13-9-14(2)11-15(10-13)20-17-6-5-16(12-18(17)22(23)24)27(25,26)19-7-8-21(3)4/h5-6,9-12,19-20H,7-8H2,1-4H3/p+1