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

Systemtic Name: (E)-1-(4-pyrrolidin-1-ylsulfonylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-pyrrolidin-1-ylsulfonylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-pyrrolidin-1-ylsulfonylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-pyrrolidinosulfonylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6S/c1-27-20-14-16(15-21(28-2)22(20)29-3)6-11-19(24)17-7-9-18(10-8-17)30(25,26)23-12-4-5-13-23/h6-11,14-15H,4-5,12-13H2,1-3H3/b11-6+