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

Systemtic Name: 2-[[4-[(3-chlorophenyl)methylamino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[(3-chlorophenyl)methylamino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-[(3-chlorophenyl)methylamino]-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[(3-chlorophenyl)methylamino]-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-[(3-chlorobenzyl)amino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C17H22ClN4O4S+ MolecularWeight: 413.89898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN4O4S/c1-21(2)9-8-20-27(25,26)15-6-7-16(17(11-15)22(23)24)19-12-13-4-3-5-14(18)10-13/h3-7,10-11,19-20H,8-9,12H2,1-2H3/p+1