2-[[4-[2-(1H-indol-3-yl)ethylamino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[2-(1H-indol-3-yl)ethylamino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[2-(1H-indol-3-yl)ethylamino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-[2-(1H-indol-3-yl)ethylamino]-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[2-(1H-indol-3-yl)ethylamino]-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-[2-(1H-indol-3-yl)ethylamino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C20H26N5O4S+ MolecularWeight: 432.51654

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CNC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CNC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4S/c1-24(2)12-11-23-30(28,29)16-7-8-19(20(13-16)25(26)27)21-10-9-15-14-22-18-6-4-3-5-17(15)18/h3-8,13-14,21-23H,9-12H2,1-2H3/p+1