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

Systemtic Name: 3-(4-butoxy-3-ethoxy-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: 3-(4-butoxy-3-ethoxy-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: 3-(4-butoxy-3-ethoxyphenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: 3-(4-butoxy-3-ethoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: 3-(4-butoxy-3-ethoxy-phenyl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OCC

InChI

InChI=1S/C25H31NO5S/c1-3-5-18-31-24-15-9-20(19-25(24)30-4-2)8-14-23(27)21-10-12-22(13-11-21)32(28,29)26-16-6-7-17-26/h8-15,19H,3-7,16-18H2,1-2H3