N-[5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-pyrimidin-4-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-pyrimidin-4-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-pyrimidin-4-yl]-2-nitro-benzenesulfonamide CAS Name: N-[5-[[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]methyl]-2-methyl-4-pyrimidinyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-pyrimidin-4-yl]-2-nitro-benzenesulfonamide Formula: C18H20N5O5S2+ MolecularWeight: 450.5119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN=C(N=C2NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C)CCO

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CN=C(N=C2NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C)CCO

InChI

InChI=1S/C18H20N5O5S2/c1-12-16(7-8-24)29-11-22(12)10-14-9-19-13(2)20-18(14)21-30(27,28)17-6-4-3-5-15(17)23(25)26/h3-6,9,11,24H,7-8,10H2,1-2H3,(H,19,20,21)/q+1