[3-[1-[(E)-pent-1-enyl]piperidin-4-yl]carbonylphenyl] 2-oxidanylbenzenesulfonate

Systemtic Name: [3-[1-[(E)-pent-1-enyl]piperidin-4-yl]carbonylphenyl] 2-oxidanylbenzenesulfonate Openeye Name: [3-[1-[(E)-pent-1-enyl]piperidine-4-carbonyl]phenyl] 2-hydroxybenzenesulfonate CAS Name: 2-hydroxybenzenesulfonic acid [3-[oxo-[1-[(E)-pent-1-enyl]-4-piperidinyl]methyl]phenyl] ester IUPAC Name: [3-[1-[(E)-pent-1-enyl]piperidine-4-carbonyl]phenyl] 2-hydroxybenzenesulfonate Traditional Name: 2-hydroxybenzenesulfonic acid [3-[1-[(E)-pent-1-enyl]isonipecotoyl]phenyl] ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC=C3O

Isomeric SMILES

CCC/C=C/N1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC=C3O

InChI

InChI=1S/C23H27NO5S/c1-2-3-6-14-24-15-12-18(13-16-24)23(26)19-8-7-9-20(17-19)29-30(27,28)22-11-5-4-10-21(22)25/h4-11,14,17-18,25H,2-3,12-13,15-16H2,1H3/b14-6+