4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[(E)-3-[2,4-dimethoxy-5-(2-thienyl)phenyl]prop-2-enoyl]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)-1-oxoprop-2-enyl]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[(E)-3-[2,4-dimethoxy-5-(2-thienyl)phenyl]acryloyl]-N-(2-pyrimidyl)benzenesulfonamide Formula: C25H21N3O5S2 MolecularWeight: 507.58134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC=CS2)C=CC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=CS2)/C=C/C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)OC

InChI

InChI=1S/C25H21N3O5S2/c1-32-22-16-23(33-2)20(24-5-3-14-34-24)15-18(22)8-11-21(29)17-6-9-19(10-7-17)35(30,31)28-25-26-12-4-13-27-25/h3-16H,1-2H3,(H,26,27,28)/b11-8+