1-[4-(azepan-1-ylsulfonyl)phenyl]-2-bromanyl-ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-bromanyl-ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-bromo-ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-2-bromoethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-bromoethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-bromo-ethanone Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CBr

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CBr

InChI

InChI=1S/C14H18BrNO3S/c15-11-14(17)12-5-7-13(8-6-12)20(18,19)16-9-3-1-2-4-10-16/h5-8H,1-4,9-11H2