(E)-3-(3-ethoxy-2-methoxy-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-ethoxy-2-methoxy-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3-ethoxy-2-methoxy-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(3-ethoxy-2-methoxyphenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-ethoxy-2-methoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-ethoxy-2-methoxy-phenyl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OC)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=CC=CC(=C1OC)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H25NO5S/c1-3-28-21-8-6-7-18(22(21)27-2)11-14-20(24)17-9-12-19(13-10-17)29(25,26)23-15-4-5-16-23/h6-14H,3-5,15-16H2,1-2H3/b14-11+