sodium 2-[2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfinyl]benzimidazol-1-yl]sulfonylbenzenesulfonate

Systemtic Name: sodium 2-[2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfinyl]benzimidazol-1-yl]sulfonylbenzenesulfonate Openeye Name: sodium 2-[2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]benzimidazol-1-yl]sulfonylbenzenesulfonate CAS Name: sodium 2-[[2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1-benzimidazolyl]sulfonyl]benzenesulfonate IUPAC Name: sodium 2-[2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-yl]sulfonylbenzenesulfonate Traditional Name: sodium 2-[2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]benzimidazol-1-yl]sulfonylbesylate Formula: C24H24N3NaO8S3 MolecularWeight: 601.64743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4S(=O)(=O)[O-])OCCCOC.[Na+]

Isomeric SMILES

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4S(=O)(=O)[O-])OCCCOC.[Na+]

InChI

InChI=1S/C24H25N3O8S3.Na/c1-17-19(25-13-12-21(17)35-15-7-14-34-2)16-36(28)24-26-18-8-3-4-9-20(18)27(24)37(29,30)22-10-5-6-11-23(22)38(31,32)33;/h3-6,8-13H,7,14-16H2,1-2H3,(H,31,32,33);/q;+1/p-1