(E)-3-(2,3-dimethoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(2,3-dimethoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(2,3-dimethoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(2,3-dimethoxyphenyl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H23NO5S/c1-26-20-7-5-6-17(21(20)27-2)10-13-19(23)16-8-11-18(12-9-16)28(24,25)22-14-3-4-15-22/h5-13H,3-4,14-15H2,1-2H3/b13-10+