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

Systemtic Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-(4-methoxyphenyl)acrylamide Formula: C23H21NO6S2 MolecularWeight: 471.54594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H21NO6S2/c1-28-18-8-4-16(5-9-18)6-11-22(25)24-14-21(32(26,27)23-3-2-12-31-23)17-7-10-19-20(13-17)30-15-29-19/h2-13,21H,14-15H2,1H3,(H,24,25)/b11-6+