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

Systemtic Name: 2-[[4-(ethylamino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(ethylamino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(ethylamino)-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(ethylamino)-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-(ethylamino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C12H21N4O4S+ MolecularWeight: 317.38454

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H20N4O4S/c1-4-13-11-6-5-10(9-12(11)16(17)18)21(19,20)14-7-8-15(2)3/h5-6,9,13-14H,4,7-8H2,1-3H3/p+1