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

Systemtic Name: 5-(4-ethylpiperazin-1-yl)sulfonyl-2-(1-methylpiperidin-4-yl)oxy-pyridine-3-carboxylic acid Openeye Name: 5-(4-ethylpiperazin-1-yl)sulfonyl-2-[(1-methyl-4-piperidyl)oxy]pyridine-3-carboxylic acid CAS Name: 5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-[(1-methyl-4-piperidinyl)oxy]-3-pyridinecarboxylic acid IUPAC Name: 5-(4-ethylpiperazin-1-yl)sulfonyl-2-(1-methylpiperidin-4-yl)oxypyridine-3-carboxylic acid Traditional Name: 5-(4-ethylpiperazino)sulfonyl-2-[(1-methyl-4-piperidyl)oxy]nicotinic acid Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)C(=O)O)OC3CCN(CC3)C

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)C(=O)O)OC3CCN(CC3)C

InChI

InChI=1S/C18H28N4O5S/c1-3-21-8-10-22(11-9-21)28(25,26)15-12-16(18(23)24)17(19-13-15)27-14-4-6-20(2)7-5-14/h12-14H,3-11H2,1-2H3,(H,23,24)