3-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]propyl-diethyl-azanium Openeye Name: 3-[(2-chloro-5-nitro-phenyl)sulfonylamino]propyl-diethyl-ammonium CAS Name: 3-[(2-chloro-5-nitrophenyl)sulfonylamino]propyl-diethylammonium IUPAC Name: 3-[(2-chloro-5-nitrophenyl)sulfonylamino]propyl-diethylazanium Traditional Name: 3-[(2-chloro-5-nitro-phenyl)sulfonylamino]propyl-diethyl-ammonium Formula: C13H21ClN3O4S+ MolecularWeight: 350.84154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClN3O4S/c1-3-16(4-2)9-5-8-15-22(20,21)13-10-11(17(18)19)6-7-12(13)14/h6-7,10,15H,3-5,8-9H2,1-2H3/p+1