2-[[4-[(2-ethoxyphenyl)amino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[(2-ethoxyphenyl)amino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(2-ethoxyanilino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(2-ethoxyanilino)-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(2-ethoxyanilino)-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[[3-nitro-4-(o-phenetidino)phenyl]sulfonylamino]ethyl]ammonium Formula: C18H25N4O5S+ MolecularWeight: 409.4799

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O5S/c1-4-27-18-8-6-5-7-16(18)20-15-10-9-14(13-17(15)22(23)24)28(25,26)19-11-12-21(2)3/h5-10,13,19-20H,4,11-12H2,1-3H3/p+1