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

Systemtic Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-3-(2-propoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-(2-propoxyphenyl)prop-2-enamide CAS Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-(2-propoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-(2-propoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-(2-propoxyphenyl)acrylamide Formula: C25H25NO6S2 MolecularWeight: 499.5991

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=CC(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C/C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C25H25NO6S2/c1-2-13-30-20-7-4-3-6-18(20)10-12-24(27)26-16-23(34(28,29)25-8-5-14-33-25)19-9-11-21-22(15-19)32-17-31-21/h3-12,14-15,23H,2,13,16-17H2,1H3,(H,26,27)/b12-10+