1-[3-(azepan-1-ylsulfonyl)-2-bromanyl-phenyl]-2-(3-hydroxyphenyl)ethanone

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)-2-bromanyl-phenyl]-2-(3-hydroxyphenyl)ethanone Openeye Name: 1-[3-(azepan-1-ylsulfonyl)-2-bromo-phenyl]-2-(3-hydroxyphenyl)ethanone CAS Name: 1-[3-(1-azepanylsulfonyl)-2-bromophenyl]-2-(3-hydroxyphenyl)ethanone IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)-2-bromophenyl]-2-(3-hydroxyphenyl)ethanone Traditional Name: 1-[3-(azepan-1-ylsulfonyl)-2-bromo-phenyl]-2-(3-hydroxyphenyl)ethanone Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2Br)C(=O)CC3=CC(=CC=C3)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2Br)C(=O)CC3=CC(=CC=C3)O

InChI

InChI=1S/C20H22BrNO4S/c21-20-17(18(24)14-15-7-5-8-16(23)13-15)9-6-10-19(20)27(25,26)22-11-3-1-2-4-12-22/h5-10,13,23H,1-4,11-12,14H2