(E)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-morpholinosulfonylphenyl)prop-2-enamide CAS Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-morpholinosulfonylphenyl)acrylamide Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)OCO2

InChI

InChI=1S/C22H22N2O7S/c1-15(25)18-12-20-21(31-14-30-20)13-19(18)23-22(26)7-4-16-2-5-17(6-3-16)32(27,28)24-8-10-29-11-9-24/h2-7,12-13H,8-11,14H2,1H3,(H,23,26)/b7-4+