(E)-3-(5-bromanyl-2-methoxy-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C20H20BrNO4S MolecularWeight: 450.3461

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO4S/c1-26-20-11-7-17(21)14-16(20)6-10-19(23)15-4-8-18(9-5-15)27(24,25)22-12-2-3-13-22/h4-11,14H,2-3,12-13H2,1H3/b10-6+