2-[[4-[(2-fluorophenyl)methyl-methyl-amino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[(2-fluorophenyl)methyl-methyl-amino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[(2-fluorophenyl)methyl-methyl-amino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-[(2-fluorophenyl)methyl-methylamino]-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[(2-fluorophenyl)methyl-methylamino]-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-[(2-fluorobenzyl)-methyl-amino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C18H24FN4O4S+ MolecularWeight: 411.470963

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C18H23FN4O4S/c1-21(2)11-10-20-28(26,27)15-8-9-17(18(12-15)23(24)25)22(3)13-14-6-4-5-7-16(14)19/h4-9,12,20H,10-11,13H2,1-3H3/p+1