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

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(4-morpholinosulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[4-(4-morpholinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(4-morpholinosulfonylphenyl)prop-2-en-1-one Formula: C20H20BrNO6S MolecularWeight: 482.3449

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br)O

InChI

InChI=1S/C20H20BrNO6S/c1-27-19-13-14(12-17(21)20(19)24)2-7-18(23)15-3-5-16(6-4-15)29(25,26)22-8-10-28-11-9-22/h2-7,12-13,24H,8-11H2,1H3/b7-2+