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

Systemtic Name: 2-[[4-[(4-dimethylaminophenyl)methylamino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[(4-dimethylaminophenyl)methylamino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-[(4-dimethylaminophenyl)methylamino]-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[(4-dimethylaminophenyl)methylamino]-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-[[4-(dimethylamino)benzyl]amino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C19H28N5O4S+ MolecularWeight: 422.52172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O4S/c1-22(2)12-11-21-29(27,28)17-9-10-18(19(13-17)24(25)26)20-14-15-5-7-16(8-6-15)23(3)4/h5-10,13,20-21H,11-12,14H2,1-4H3/p+1