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

Systemtic Name: 2-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-[(4-chlorophenyl)thio]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C16H19ClN3O4S2+ MolecularWeight: 416.92276

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN3O4S2/c1-19(2)10-9-18-26(23,24)14-7-8-16(15(11-14)20(21)22)25-13-5-3-12(17)4-6-13/h3-8,11,18H,9-10H2,1-2H3/p+1