4-[3-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]phenyl]sulfonylpiperazin-2-one

Systemtic Name: 4-[3-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]phenyl]sulfonylpiperazin-2-one Openeye Name: 4-[3-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)phenyl]sulfonylpiperazin-2-one CAS Name: 4-[3-[(4-methylsulfonyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]sulfonyl-2-piperazinone IUPAC Name: 4-[3-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)phenyl]sulfonylpiperazin-2-one Traditional Name: 4-[3-(4-mesyl-1,4-diazepane-1-carbonyl)phenyl]sulfonylpiperazin-2-one Formula: C17H24N4O6S2 MolecularWeight: 444.52566

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C17H24N4O6S2/c1-28(24,25)20-8-3-7-19(10-11-20)17(23)14-4-2-5-15(12-14)29(26,27)21-9-6-18-16(22)13-21/h2,4-5,12H,3,6-11,13H2,1H3,(H,18,22)