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

Systemtic Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-(4-benzyloxyphenyl)prop-2-enamide CAS Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-(4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-(4-benzoxyphenyl)acrylamide Formula: C29H25NO6S2 MolecularWeight: 547.6419

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)/C=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C29H25NO6S2/c31-28(15-10-21-8-12-24(13-9-21)34-19-22-5-2-1-3-6-22)30-18-27(38(32,33)29-7-4-16-37-29)23-11-14-25-26(17-23)36-20-35-25/h1-17,27H,18-20H2,(H,30,31)/b15-10+