(4-bromophenyl)sulfonyl-[[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-phenyl-methylidene]azanium

Systemtic Name: (4-bromophenyl)sulfonyl-[[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-phenyl-methylidene]azanium Openeye Name: [[(6-acetyl-1,3-benzodioxol-5-yl)amino]-phenyl-methylene]-(4-bromophenyl)sulfonyl-ammonium CAS Name: [[(6-acetyl-1,3-benzodioxol-5-yl)amino]-phenylmethylidene]-(4-bromophenyl)sulfonylammonium IUPAC Name: [[(6-acetyl-1,3-benzodioxol-5-yl)amino]-phenylmethylidene]-(4-bromophenyl)sulfonylazanium Traditional Name: [[(6-acetyl-1,3-benzodioxol-5-yl)amino]-phenyl-methylene]-brosyl-ammonium Formula: C22H18BrN2O5S+ MolecularWeight: 502.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=[NH+]S(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=[NH+]S(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4)OCO2

InChI

InChI=1S/C22H17BrN2O5S/c1-14(26)18-11-20-21(30-13-29-20)12-19(18)24-22(15-5-3-2-4-6-15)25-31(27,28)17-9-7-16(23)8-10-17/h2-12H,13H2,1H3,(H,24,25)/p+1