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

Systemtic Name: [[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-phenyl-methylidene]-(phenylsulfonyl)azanium Openeye Name: [[(6-acetyl-1,3-benzodioxol-5-yl)amino]-phenyl-methylene]-(benzenesulfonyl)ammonium CAS Name: [[(6-acetyl-1,3-benzodioxol-5-yl)amino]-phenylmethylidene]-(benzenesulfonyl)ammonium IUPAC Name: [[(6-acetyl-1,3-benzodioxol-5-yl)amino]-phenylmethylidene]-(benzenesulfonyl)azanium Traditional Name: [[(6-acetyl-1,3-benzodioxol-5-yl)amino]-phenyl-methylene]-besyl-ammonium Formula: C22H19N2O5S+ MolecularWeight: 423.46166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O5S/c1-15(25)18-12-20-21(29-14-28-20)13-19(18)23-22(16-8-4-2-5-9-16)24-30(26,27)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,23,24)/p+1