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

Systemtic Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-phenyl-acrylamide Formula: C22H19NO5S2 MolecularWeight: 441.51996

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)C=CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)/C=C/C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H19NO5S2/c24-21(11-8-16-5-2-1-3-6-16)23-14-20(30(25,26)22-7-4-12-29-22)17-9-10-18-19(13-17)28-15-27-18/h1-13,20H,14-15H2,(H,23,24)/b11-8+