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

Systemtic Name: 3-[[4-(3-chloranylphenoxy)-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(3-chlorophenoxy)-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-ammonium CAS Name: 3-[[4-(3-chlorophenoxy)-3-nitrophenyl]sulfonylamino]propyl-dimethylammonium IUPAC Name: 3-[[4-(3-chlorophenoxy)-3-nitrophenyl]sulfonylamino]propyl-dimethylazanium Traditional Name: 3-[[4-(3-chlorophenoxy)-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-ammonium Formula: C17H21ClN3O5S+ MolecularWeight: 414.88374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O5S/c1-20(2)10-4-9-19-27(24,25)15-7-8-17(16(12-15)21(22)23)26-14-6-3-5-13(18)11-14/h3,5-8,11-12,19H,4,9-10H2,1-2H3/p+1