disodium 4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-pyridine-3-carboxylate

Systemtic Name: disodium 4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-pyridine-3-carboxylate Openeye Name: disodium 4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-pyridine-3-carboxylate CAS Name: disodium 4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinecarboxylate IUPAC Name: disodium 4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridine-3-carboxylate Traditional Name: disodium 4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-nicotinate Formula: C34H32N6Na2O10S2 MolecularWeight: 794.76162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)C(=O)[O-])OC.CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)C(=O)[O-])OC.[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)C(=O)[O-])OC.CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)C(=O)[O-])OC.[Na+].[Na+]

InChI

InChI=1S/2C17H17N3O5S.2Na/c2*1-9-14(18-7-11(16(21)22)15(9)25-3)8-26(23)17-19-12-5-4-10(24-2)6-13(12)20-17;;/h2*4-7H,8H2,1-3H3,(H,19,20)(H,21,22);;/q;;2*+1/p-2