4-[(E)-3-(1,3-benzodioxol-4-yl)prop-2-enoyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[(E)-3-(1,3-benzodioxol-4-yl)prop-2-enoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[(E)-3-(1,3-benzodioxol-4-yl)prop-2-enoyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[(E)-3-(1,3-benzodioxol-4-yl)-1-oxoprop-2-enyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[(E)-3-(1,3-benzodioxol-4-yl)prop-2-enoyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[(E)-3-(1,3-benzodioxol-4-yl)acryloyl]-N,N-diethyl-benzenesulfonamide Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C=CC2=C3C(=CC=C2)OCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)/C=C/C2=C3C(=CC=C2)OCO3

InChI

InChI=1S/C20H21NO5S/c1-3-21(4-2)27(23,24)17-11-8-15(9-12-17)18(22)13-10-16-6-5-7-19-20(16)26-14-25-19/h5-13H,3-4,14H2,1-2H3/b13-10+