4-[3-(azepan-1-ylcarbonyl)phenyl]sulfonylpiperazin-2-one

Systemtic Name: 4-[3-(azepan-1-ylcarbonyl)phenyl]sulfonylpiperazin-2-one Openeye Name: 4-[3-(azepane-1-carbonyl)phenyl]sulfonylpiperazin-2-one CAS Name: 4-[3-[1-azepanyl(oxo)methyl]phenyl]sulfonyl-2-piperazinone IUPAC Name: 4-[3-(azepane-1-carbonyl)phenyl]sulfonylpiperazin-2-one Traditional Name: 4-[3-(azepane-1-carbonyl)phenyl]sulfonylpiperazin-2-one Formula: C17H23N3O4S MolecularWeight: 365.44722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C17H23N3O4S/c21-16-13-20(11-8-18-16)25(23,24)15-7-5-6-14(12-15)17(22)19-9-3-1-2-4-10-19/h5-7,12H,1-4,8-11,13H2,(H,18,21)