6-[4-[4-[2-(1-methylimidazol-2-yl)sulfanylethyl]phenoxy]carbonylpiperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[4-[4-[2-(1-methylimidazol-2-yl)sulfanylethyl]phenoxy]carbonylpiperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-[4-[4-[2-(1-methylimidazol-2-yl)sulfanylethyl]phenoxy]carbonylpiperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 6-[4-[[4-[2-[(1-methyl-2-imidazolyl)thio]ethyl]phenoxy]-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[4-[4-[2-(1-methylimidazol-2-yl)sulfanylethyl]phenoxy]carbonylpiperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 6-[4-[4-[2-[(1-methylimidazol-2-yl)thio]ethyl]phenoxy]carbonylpiperazino]nicotinic acid Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCC2=CC=C(C=C2)OC(=O)N3CCN(CC3)C4=NC=C(C=C4)C(=O)O

Isomeric SMILES

CN1C=CN=C1SCCC2=CC=C(C=C2)OC(=O)N3CCN(CC3)C4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H25N5O4S/c1-26-10-9-24-22(26)33-15-8-17-2-5-19(6-3-17)32-23(31)28-13-11-27(12-14-28)20-7-4-18(16-25-20)21(29)30/h2-7,9-10,16H,8,11-15H2,1H3,(H,29,30)