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

Systemtic Name: N-[4-[(E)-3-(3,4-dimethoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[(E)-3-[3,4-dimethoxy-5-(2-thienyl)phenyl]prop-2-enoyl]phenyl]methanesulfonamide CAS Name: N-[4-[(E)-3-(3,4-dimethoxy-5-thiophen-2-ylphenyl)-1-oxoprop-2-enyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(E)-3-(3,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[(E)-3-[3,4-dimethoxy-5-(2-thienyl)phenyl]acryloyl]phenyl]methanesulfonamide Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CS3)OC

InChI

InChI=1S/C22H21NO5S2/c1-27-20-14-15(13-18(22(20)28-2)21-5-4-12-29-21)6-11-19(24)16-7-9-17(10-8-16)23-30(3,25)26/h4-14,23H,1-3H3/b11-6+