1-[4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-[(E)-3-(3-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)acryloyl]phenyl]sulfonylisonipecotic acid Formula: C24H27NO7S MolecularWeight: 473.53868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C24H27NO7S/c1-3-32-23-16-17(5-11-22(23)31-2)4-10-21(26)18-6-8-20(9-7-18)33(29,30)25-14-12-19(13-15-25)24(27)28/h4-11,16,19H,3,12-15H2,1-2H3,(H,27,28)/b10-4+