4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]-N-(3-imidazol-1-ylpropyl)benzenesulfonamide

Systemtic Name: 4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]-N-(3-imidazol-1-ylpropyl)benzenesulfonamide Openeye Name: 4-[(E)-3-[2,4-dimethoxy-5-(2-thienyl)phenyl]prop-2-enoyl]-N-(3-imidazol-1-ylpropyl)benzenesulfonamide CAS Name: 4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)-1-oxoprop-2-enyl]-N-[3-(1-imidazolyl)propyl]benzenesulfonamide IUPAC Name: 4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]-N-(3-imidazol-1-ylpropyl)benzenesulfonamide Traditional Name: 4-[(E)-3-[2,4-dimethoxy-5-(2-thienyl)phenyl]acryloyl]-N-(3-imidazol-1-ylpropyl)benzenesulfonamide Formula: C27H27N3O5S2 MolecularWeight: 537.65038

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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)NCCCN4C=CN=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=CS2)/C=C/C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCCN4C=CN=C4)OC

InChI

InChI=1S/C27H27N3O5S2/c1-34-25-18-26(35-2)23(27-5-3-16-36-27)17-21(25)8-11-24(31)20-6-9-22(10-7-20)37(32,33)29-12-4-14-30-15-13-28-19-30/h3,5-11,13,15-19,29H,4,12,14H2,1-2H3/b11-8+