N-[5-(2-chloranyl-5-methoxy-phenoxy)-6-(2-hydroxyethyloxy)-2-(1-oxidanidylpyridin-1-ium-4-yl)pyrimidin-4-yl]-5-propan-2-yl-pyridine-2-sulfonamide

Systemtic Name: N-[5-(2-chloranyl-5-methoxy-phenoxy)-6-(2-hydroxyethyloxy)-2-(1-oxidanidylpyridin-1-ium-4-yl)pyrimidin-4-yl]-5-propan-2-yl-pyridine-2-sulfonamide Openeye Name: N-[5-(2-chloro-5-methoxy-phenoxy)-6-(2-hydroxyethoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]-5-isopropyl-pyridine-2-sulfonamide CAS Name: N-[5-(2-chloro-5-methoxyphenoxy)-6-(2-hydroxyethoxy)-2-(1-oxido-4-pyridin-1-iumyl)-4-pyrimidinyl]-5-propan-2-yl-2-pyridinesulfonamide IUPAC Name: N-[5-(2-chloro-5-methoxyphenoxy)-6-(2-hydroxyethoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide Traditional Name: N-[5-(2-chloro-5-methoxy-phenoxy)-6-(2-hydroxyethoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]-5-isopropyl-pyridine-2-sulfonamide Formula: C26H26ClN5O7S MolecularWeight: 588.03194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CN=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC=[N+](C=C3)[O-])OCCO)OC4=C(C=CC(=C4)OC)Cl

Isomeric SMILES

CC(C)C1=CN=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC=[N+](C=C3)[O-])OCCO)OC4=C(C=CC(=C4)OC)Cl

InChI

InChI=1S/C26H26ClN5O7S/c1-16(2)18-4-7-22(28-15-18)40(35,36)31-25-23(39-21-14-19(37-3)5-6-20(21)27)26(38-13-12-33)30-24(29-25)17-8-10-32(34)11-9-17/h4-11,14-16,33H,12-13H2,1-3H3,(H,29,30,31)