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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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