4-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]sulfonyltetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-[4-(2-methoxyethoxy)phenyl]-1-piperazinyl]sulfonyl]-4-oxanecarboxylic acid IUPAC Name: 4-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-[4-(2-methoxyethoxy)phenyl]piperazino]sulfonyltetrahydropyran-4-carboxylic acid Formula: C19H28N2O7S MolecularWeight: 428.49982

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)O

Isomeric SMILES

COCCOC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)O

InChI

InChI=1S/C19H28N2O7S/c1-26-14-15-28-17-4-2-16(3-5-17)20-8-10-21(11-9-20)29(24,25)19(18(22)23)6-12-27-13-7-19/h2-5H,6-15H2,1H3,(H,22,23)