1-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-propan-1-one

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-propan-1-one Openeye Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-propan-1-one CAS Name: 1-[3-(1-azepanylsulfonyl)phenyl]-2-methyl-1-propanone IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-2-methylpropan-1-one Traditional Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-propan-1-one Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)C(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H23NO3S/c1-13(2)16(18)14-8-7-9-15(12-14)21(19,20)17-10-5-3-4-6-11-17/h7-9,12-13H,3-6,10-11H2,1-2H3