sodium [4-methoxy-5-methyl-6-[[5-(trideuteriomethoxy)benzimidazol-1-id-2-yl]sulfinylmethyl]pyridin-3-yl]methanol

Systemtic Name: sodium [4-methoxy-5-methyl-6-[[5-(trideuteriomethoxy)benzimidazol-1-id-2-yl]sulfinylmethyl]pyridin-3-yl]methanol Openeye Name: sodium [4-methoxy-5-methyl-6-[[5-(trideuteriomethoxy)benzimidazol-1-id-2-yl]sulfinylmethyl]-3-pyridyl]methanol CAS Name: sodium [4-methoxy-5-methyl-6-[[5-(trideuteriomethoxy)-2-benzimidazol-1-idyl]sulfinylmethyl]-3-pyridinyl]methanol IUPAC Name: sodium [4-methoxy-5-methyl-6-[[5-(trideuteriomethoxy)benzimidazol-1-id-2-yl]sulfinylmethyl]pyridin-3-yl]methanol Traditional Name: sodium [4-methoxy-5-methyl-6-[[5-(trideuteriomethoxy)benzimidazol-1-id-2-yl]sulfinylmethyl]-3-pyridyl]methanol Formula: C17H18N3NaO4S MolecularWeight: 386.415775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN=C1CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC)CO)OC.[Na+]

Isomeric SMILES

[2H]C([2H])([2H])OC1=CC2=C(C=C1)[N-]C(=N2)S(=O)CC3=NC=C(C(=C3C)OC)CO.[Na+]

InChI

InChI=1S/C17H18N3O4S.Na/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17;/h4-7,21H,8-9H2,1-3H3;/q-1;+1/i2D3;