(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C20H18ClNO5S MolecularWeight: 419.87862

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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(=C3)Cl)OCO4

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO5S/c21-17-11-14(12-19-20(17)27-13-26-19)3-8-18(23)15-4-6-16(7-5-15)28(24,25)22-9-1-2-10-22/h3-8,11-12H,1-2,9-10,13H2/b8-3+