sodium 2-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzenesulfonate

Systemtic Name: sodium 2-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzenesulfonate Openeye Name: sodium 2-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzenesulfonate CAS Name: sodium 2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-benzimidazolyl]sulfonyl]benzenesulfonate IUPAC Name: sodium 2-[6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzenesulfonate Traditional Name: sodium 2-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-yl]sulfonylbesylate Formula: C23H22N3NaO8S3 MolecularWeight: 587.62085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2S(=O)(=O)C4=CC=CC=C4S(=O)(=O)[O-])C=C(C=C3)OC.[Na+]

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2S(=O)(=O)C4=CC=CC=C4S(=O)(=O)[O-])C=C(C=C3)OC.[Na+]

InChI

InChI=1S/C23H23N3O8S3.Na/c1-14-12-24-18(15(2)22(14)34-4)13-35(27)23-25-17-10-9-16(33-3)11-19(17)26(23)36(28,29)20-7-5-6-8-21(20)37(30,31)32;/h5-12H,13H2,1-4H3,(H,30,31,32);/q;+1/p-1