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

Systemtic Name: (E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-ethoxy-4-propargyloxy-phenyl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C24H25NO5S MolecularWeight: 439.524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OCC#C

InChI

InChI=1S/C24H25NO5S/c1-3-17-30-23-14-8-19(18-24(23)29-4-2)7-13-22(26)20-9-11-21(12-10-20)31(27,28)25-15-5-6-16-25/h1,7-14,18H,4-6,15-17H2,2H3/b13-7+