N-[2,3-dihydroindol-1-ium-1-ylidene-[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2,3-dihydroindol-1-ium-1-ylidene-[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-indolin-1-ium-1-ylidene-methyl]-4-methyl-benzenesulfonamide CAS Name: N-[2,3-dihydroindol-1-ium-1-ylidene-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2,3-dihydroindol-1-ium-1-ylidene-[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4-methylbenzenesulfonamide Traditional Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-indolin-1-ium-1-ylidene-methyl]-4-methyl-benzenesulfonamide Formula: C22H24N5O2S+ MolecularWeight: 422.52326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=[N+]2CCC3=CC=CC=C32)NC4=NC(=CC(=N4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=[N+]2CCC3=CC=CC=C32)NC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C22H23N5O2S/c1-15-8-10-19(11-9-15)30(28,29)26-22(25-21-23-16(2)14-17(3)24-21)27-13-12-18-6-4-5-7-20(18)27/h4-11,14H,12-13H2,1-3H3,(H,23,24,25,26)/p+1