3-[(5-bromanyl-2-oxidanylidene-indol-1-ium-3-yl)amino]-N-methyl-N-phenyl-benzenesulfonamide

Systemtic Name: 3-[(5-bromanyl-2-oxidanylidene-indol-1-ium-3-yl)amino]-N-methyl-N-phenyl-benzenesulfonamide Openeye Name: 3-[(5-bromo-2-oxo-indol-1-ium-3-yl)amino]-N-methyl-N-phenyl-benzenesulfonamide CAS Name: 3-[(5-bromo-2-oxo-3-indol-1-iumyl)amino]-N-methyl-N-phenylbenzenesulfonamide IUPAC Name: 3-[(5-bromo-2-oxoindol-1-ium-3-yl)amino]-N-methyl-N-phenylbenzenesulfonamide Traditional Name: 3-[(5-bromo-2-keto-indol-1-ium-3-yl)amino]-N-methyl-N-phenyl-benzenesulfonamide Formula: C21H17BrN3O3S+ MolecularWeight: 471.34698

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC3=C4C=C(C=CC4=[NH+]C3=O)Br

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC3=C4C=C(C=CC4=[NH+]C3=O)Br

InChI

InChI=1S/C21H16BrN3O3S/c1-25(16-7-3-2-4-8-16)29(27,28)17-9-5-6-15(13-17)23-20-18-12-14(22)10-11-19(18)24-21(20)26/h2-13H,1H3,(H,23,24,26)/p+1