(E)-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-3-phenyl-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]prop-2-enamide CAS Name: (E)-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide Traditional Name: (E)-3-phenyl-N-[2-(2-thienyl)-2-tosyl-ethyl]acrylamide Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C=CC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)/C=C/C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C22H21NO3S2/c1-17-9-12-19(13-10-17)28(25,26)21(20-8-5-15-27-20)16-23-22(24)14-11-18-6-3-2-4-7-18/h2-15,21H,16H2,1H3,(H,23,24)/b14-11+