(4,6-dimethylpyrimidin-2-yl)-[4-[2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoylamino]phenyl]sulfonyl-azanide

Systemtic Name: (4,6-dimethylpyrimidin-2-yl)-[4-[2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoylamino]phenyl]sulfonyl-azanide Openeye Name: (4,6-dimethylpyrimidin-2-yl)-[4-[[2-(4-methylquinolin-1-ium-2-yl)sulfanylacetyl]amino]phenyl]sulfonyl-azanide CAS Name: (4,6-dimethyl-2-pyrimidinyl)-[4-[[2-[(4-methyl-2-quinolin-1-iumyl)thio]-1-oxoethyl]amino]phenyl]sulfonylazanide IUPAC Name: (4,6-dimethylpyrimidin-2-yl)-[4-[[2-(4-methylquinolin-1-ium-2-yl)sulfanylacetyl]amino]phenyl]sulfonylazanide Traditional Name: (4,6-dimethylpyrimidin-2-yl)-[4-[[2-[(4-methylquinolin-1-ium-2-yl)thio]acetyl]amino]phenyl]sulfonyl-azanide Formula: C24H23N5O3S2 MolecularWeight: 493.60112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC(=CC(=N4)C)C

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC(=CC(=N4)C)C

InChI

InChI=1S/C24H23N5O3S2/c1-15-12-23(28-21-7-5-4-6-20(15)21)33-14-22(30)27-18-8-10-19(11-9-18)34(31,32)29-24-25-16(2)13-17(3)26-24/h4-13H,14H2,1-3H3,(H2,25,26,27,29,30)