N-[4-[(4-sulfamoylphenyl)amino]pyrimidin-2-yl]-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-[(4-sulfamoylphenyl)amino]pyrimidin-2-yl]-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(4-sulfamoylanilino)pyrimidin-2-yl]-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide CAS Name: N-[4-(4-sulfamoylanilino)-2-pyrimidinyl]-2-(2,4,6-trimethyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-[4-(4-sulfamoylanilino)pyrimidin-2-yl]-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide Traditional Name: N-[4-(4-sulfamoylanilino)pyrimidin-2-yl]-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide Formula: C20H23N6O3S+ MolecularWeight: 427.50002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)CC(=O)NC2=NC=CC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)CC(=O)NC2=NC=CC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C20H22N6O3S/c1-13-10-14(2)26(15(3)11-13)12-19(27)25-20-22-9-8-18(24-20)23-16-4-6-17(7-5-16)30(21,28)29/h4-11H,12H2,1-3H3,(H3-,21,22,23,24,25,27,28,29)/p+1