2-(1,3-dimethoxypropan-2-yloxy)-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridine-3-carboxylic acid

Systemtic Name: 2-(1,3-dimethoxypropan-2-yloxy)-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridine-3-carboxylic acid Openeye Name: 5-(4-ethylpiperazin-1-yl)sulfonyl-2-[2-methoxy-1-(methoxymethyl)ethoxy]pyridine-3-carboxylic acid CAS Name: 2-(1,3-dimethoxypropan-2-yloxy)-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(1,3-dimethoxypropan-2-yloxy)-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxylic acid Traditional Name: 5-(4-ethylpiperazino)sulfonyl-2-[2-methoxy-1-(methoxymethyl)ethoxy]nicotinic acid Formula: C17H27N3O7S MolecularWeight: 417.47718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)C(=O)O)OC(COC)COC

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)C(=O)O)OC(COC)COC

InChI

InChI=1S/C17H27N3O7S/c1-4-19-5-7-20(8-6-19)28(23,24)14-9-15(17(21)22)16(18-10-14)27-13(11-25-2)12-26-3/h9-10,13H,4-8,11-12H2,1-3H3,(H,21,22)