5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-phenylmethoxyethoxy)pyridine-3-carboxylic acid

Systemtic Name: 5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-phenylmethoxyethoxy)pyridine-3-carboxylic acid Openeye Name: 2-(2-benzyloxyethoxy)-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridine-3-carboxylic acid CAS Name: 5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-(2-phenylmethoxyethoxy)-3-pyridinecarboxylic acid IUPAC Name: 5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-phenylmethoxyethoxy)pyridine-3-carboxylic acid Traditional Name: 2-(2-benzoxyethoxy)-5-(4-ethylpiperazino)sulfonyl-nicotinic acid Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)C(=O)O)OCCOCC3=CC=CC=C3

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)C(=O)O)OCCOCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O6S/c1-2-23-8-10-24(11-9-23)31(27,28)18-14-19(21(25)26)20(22-15-18)30-13-12-29-16-17-6-4-3-5-7-17/h3-7,14-15H,2,8-13,16H2,1H3,(H,25,26)