1-[4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]phenyl]sulfonylpiperidine-2-carboxylic acid

Systemtic Name: 1-[4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]phenyl]sulfonylpiperidine-2-carboxylic acid Openeye Name: 1-[4-[(E)-3-[2,4-dimethoxy-5-(2-thienyl)phenyl]prop-2-enoyl]phenyl]sulfonylpiperidine-2-carboxylic acid CAS Name: 1-[4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)-1-oxoprop-2-enyl]phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 1-[4-[(E)-3-[2,4-dimethoxy-5-(2-thienyl)phenyl]acryloyl]phenyl]sulfonylpipecolinic acid Formula: C27H27NO7S2 MolecularWeight: 541.63578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC=CS2)C=CC(=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/c1-34-24-17-25(35-2)21(26-7-5-15-36-26)16-19(24)10-13-23(29)18-8-11-20(12-9-18)37(32,33)28-14-4-3-6-22(28)27(30)31/h5,7-13,15-17,22H,3-4,6,14H2,1-2H3,(H,30,31)/b13-10+