(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H23NO6S/c1-27-19-13-15(14-20(28-2)21(19)24)5-10-18(23)16-6-8-17(9-7-16)29(25,26)22-11-3-4-12-22/h5-10,13-14,24H,3-4,11-12H2,1-2H3/b10-5+