(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C20H18BrNO5S MolecularWeight: 464.32962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C20H18BrNO5S/c21-17-12-20-19(26-13-27-20)11-15(17)5-8-18(23)14-3-6-16(7-4-14)28(24,25)22-9-1-2-10-22/h3-8,11-12H,1-2,9-10,13H2/b8-5+