1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-en-1-one Formula: C22H24BrNO5S MolecularWeight: 494.39866

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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)N3CCCCCC3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br)O

InChI

InChI=1S/C22H24BrNO5S/c1-29-21-15-16(14-19(23)22(21)26)6-11-20(25)17-7-9-18(10-8-17)30(27,28)24-12-4-2-3-5-13-24/h6-11,14-15,26H,2-5,12-13H2,1H3