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

Systemtic Name: 2-[[4-(3-chloranylphenoxy)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(3-chlorophenoxy)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(3-chlorophenoxy)-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(3-chlorophenoxy)-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-(3-chlorophenoxy)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C16H19ClN3O5S+ MolecularWeight: 400.85716

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)OC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)OC2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN3O5S/c1-19(2)9-8-18-26(23,24)14-6-7-16(15(11-14)20(21)22)25-13-5-3-4-12(17)10-13/h3-7,10-11,18H,8-9H2,1-2H3/p+1