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

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-one Openeye Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-one CAS Name: 1-[3-(1-azepanylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-one Traditional Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-one Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-2-15(17)13-8-7-9-14(12-13)20(18,19)16-10-5-3-4-6-11-16/h7-9,12H,2-6,10-11H2,1H3