4-[[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid

Systemtic Name: 4-[[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid Openeye Name: 4-[[4-[4-(3-pyridyl)phenyl]piperazin-1-yl]sulfonylmethyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-[4-(3-pyridinyl)phenyl]-1-piperazinyl]sulfonylmethyl]-4-oxanecarboxylic acid IUPAC Name: 4-[[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid Traditional Name: 4-[[4-[4-(3-pyridyl)phenyl]piperazino]sulfonylmethyl]tetrahydropyran-4-carboxylic acid Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1COCCC1(CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C22H27N3O5S/c26-21(27)22(7-14-30-15-8-22)17-31(28,29)25-12-10-24(11-13-25)20-5-3-18(4-6-20)19-2-1-9-23-16-19/h1-6,9,16H,7-8,10-15,17H2,(H,26,27)