(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(2-thienyl)-2-tosyl-ethyl]acrylamide Formula: C23H21NO5S2 MolecularWeight: 455.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C=CC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C23H21NO5S2/c1-16-4-8-18(9-5-16)31(26,27)22(21-3-2-12-30-21)14-24-23(25)11-7-17-6-10-19-20(13-17)29-15-28-19/h2-13,22H,14-15H2,1H3,(H,24,25)/b11-7+