[2-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-methoxy-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [4-[(E)-3-keto-3-methoxy-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C19H25NO7S MolecularWeight: 411.4693

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=C(C=C(C=C2)C=CC(=O)OC)OC

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=C(C=C(C=C2)/C=C/C(=O)OC)OC

InChI

InChI=1S/C19H25NO7S/c1-4-28(23,24)20-11-9-15(10-12-20)19(22)27-16-7-5-14(13-17(16)25-2)6-8-18(21)26-3/h5-8,13,15H,4,9-12H2,1-3H3/b8-6+