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

Systemtic Name: 2-[[4-[(4-methoxyphenyl)methylamino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[(4-methoxyphenyl)methylamino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[[3-nitro-4-(p-anisylamino)phenyl]sulfonylamino]ethyl]ammonium Formula: C18H25N4O5S+ MolecularWeight: 409.4799

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5S/c1-21(2)11-10-20-28(25,26)16-8-9-17(18(12-16)22(23)24)19-13-14-4-6-15(27-3)7-5-14/h4-9,12,19-20H,10-11,13H2,1-3H3/p+1