4-[4-[(E)-4-phenylmethoxybut-1-enyl]piperidin-1-yl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[4-[(E)-4-phenylmethoxybut-1-enyl]piperidin-1-yl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[[4-[(E)-4-benzyloxybut-1-enyl]-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-[(E)-4-phenylmethoxybut-1-enyl]-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid IUPAC Name: 4-[4-[(E)-4-phenylmethoxybut-1-enyl]piperidin-1-yl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-[(E)-4-benzoxybut-1-enyl]piperidino]sulfonyltetrahydropyran-4-carboxylic acid Formula: C22H31NO6S MolecularWeight: 437.54964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C=CCCOCC2=CC=CC=C2)S(=O)(=O)C3(CCOCC3)C(=O)O

Isomeric SMILES

C1CN(CCC1/C=C/CCOCC2=CC=CC=C2)S(=O)(=O)C3(CCOCC3)C(=O)O

InChI

InChI=1S/C22H31NO6S/c24-21(25)22(11-16-28-17-12-22)30(26,27)23-13-9-19(10-14-23)6-4-5-15-29-18-20-7-2-1-3-8-20/h1-4,6-8,19H,5,9-18H2,(H,24,25)/b6-4+