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

Systemtic Name: 1-[4-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[4-[(E)-3-(2,4-dimethylphenyl)acryloyl]phenyl]sulfonylisonipecotic acid Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C23H25NO5S/c1-16-3-4-18(17(2)15-16)7-10-22(25)19-5-8-21(9-6-19)30(28,29)24-13-11-20(12-14-24)23(26)27/h3-10,15,20H,11-14H2,1-2H3,(H,26,27)/b10-7+