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

Systemtic Name: [[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-phenyl-methylidene]-(4-methylphenyl)sulfonyl-azanium Openeye Name: [[(6-acetyl-1,3-benzodioxol-5-yl)amino]-phenyl-methylene]-(p-tolylsulfonyl)ammonium CAS Name: [[(6-acetyl-1,3-benzodioxol-5-yl)amino]-phenylmethylidene]-(4-methylphenyl)sulfonylammonium IUPAC Name: [[(6-acetyl-1,3-benzodioxol-5-yl)amino]-phenylmethylidene]-(4-methylphenyl)sulfonylazanium Traditional Name: [[(6-acetyl-1,3-benzodioxol-5-yl)amino]-phenyl-methylene]-tosyl-ammonium Formula: C23H21N2O5S+ MolecularWeight: 437.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[NH+]=C(C2=CC=CC=C2)NC3=CC4=C(C=C3C(=O)C)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[NH+]=C(C2=CC=CC=C2)NC3=CC4=C(C=C3C(=O)C)OCO4

InChI

InChI=1S/C23H20N2O5S/c1-15-8-10-18(11-9-15)31(27,28)25-23(17-6-4-3-5-7-17)24-20-13-22-21(29-14-30-22)12-19(20)16(2)26/h3-13H,14H2,1-2H3,(H,24,25)/p+1