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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(5-bromanyl-2-methoxy-phenyl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(5-bromo-2-methoxy-phenyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(5-bromo-2-methoxyphenyl)-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(5-bromo-2-methoxyphenyl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(5-bromo-2-methoxy-phenyl)prop-2-en-1-one Formula: C22H24BrNO4S MolecularWeight: 478.39926

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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)N3CCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO4S/c1-28-22-13-9-19(23)16-18(22)8-12-21(25)17-6-10-20(11-7-17)29(26,27)24-14-4-2-3-5-15-24/h6-13,16H,2-5,14-15H2,1H3