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

Systemtic Name: 3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: 3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-(4-morpholinosulfonylphenyl)prop-2-en-1-one CAS Name: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[4-(4-morpholinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: 3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-(4-morpholinosulfonylphenyl)prop-2-en-1-one Formula: C21H22BrNO6S MolecularWeight: 496.37148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br)O

InChI

InChI=1S/C21H22BrNO6S/c1-2-29-20-14-15(13-18(22)21(20)25)3-8-19(24)16-4-6-17(7-5-16)30(26,27)23-9-11-28-12-10-23/h3-8,13-14,25H,2,9-12H2,1H3