(E)-3-(3,5-dimethoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dimethoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3,5-dimethoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3,5-dimethoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3,5-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(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C21H23NO5S/c1-26-18-13-16(14-19(15-18)27-2)5-10-21(23)17-6-8-20(9-7-17)28(24,25)22-11-3-4-12-22/h5-10,13-15H,3-4,11-12H2,1-2H3/b10-5+