2-[[4-(4-chloranyl-2-methyl-phenoxy)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(4-chloranyl-2-methyl-phenoxy)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(4-chloro-2-methyl-phenoxy)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(4-chloro-2-methylphenoxy)-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(4-chloro-2-methylphenoxy)-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-(4-chloro-2-methyl-phenoxy)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C17H21ClN3O5S+ MolecularWeight: 414.88374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN3O5S/c1-12-10-13(18)4-6-16(12)26-17-7-5-14(11-15(17)21(22)23)27(24,25)19-8-9-20(2)3/h4-7,10-11,19H,8-9H2,1-3H3/p+1