1-[2,3-dimethoxy-5-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-[2,3-dimethoxy-5-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 1-[2,3-dimethoxy-5-[(E)-3-oxido-3-oxo-prop-1-enyl]phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2,3-dimethoxy-5-[(E)-3-oxido-3-oxoprop-1-enyl]phenyl]sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-[2,3-dimethoxy-5-[(E)-3-oxido-3-oxoprop-1-enyl]phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[5-[(E)-3-keto-3-oxido-prop-1-enyl]-2,3-dimethoxy-phenyl]sulfonylisonipecotate Formula: C17H19NO8S-2 MolecularWeight: 397.39966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)[O-])OC

InChI

InChI=1S/C17H21NO8S/c1-25-13-9-11(3-4-15(19)20)10-14(16(13)26-2)27(23,24)18-7-5-12(6-8-18)17(21)22/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,20)(H,21,22)/p-2/b4-3+