1-[4-[2-(2,4-dimethoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]phenyl]sulfonylpiperidine-2-carboxylic acid

Systemtic Name: 1-[4-[2-(2,4-dimethoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]phenyl]sulfonylpiperidine-2-carboxylic acid Openeye Name: 1-[4-[2-[2,4-dimethoxy-5-(2-thienyl)phenyl]prop-2-enoyl]phenyl]sulfonylpiperidine-2-carboxylic acid CAS Name: 1-[4-[2-(2,4-dimethoxy-5-thiophen-2-ylphenyl)-1-oxoprop-2-enyl]phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[2-(2,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 1-[4-[2-[2,4-dimethoxy-5-(2-thienyl)phenyl]acryloyl]phenyl]sulfonylpipecolinic acid Formula: C27H27NO7S2 MolecularWeight: 541.63578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4C(=O)O)OC

InChI

InChI=1S/C27H27NO7S2/c1-17(20-15-21(25-8-6-14-36-25)24(35-3)16-23(20)34-2)26(29)18-9-11-19(12-10-18)37(32,33)28-13-5-4-7-22(28)27(30)31/h6,8-12,14-16,22H,1,4-5,7,13H2,2-3H3,(H,30,31)