1-[1-(2-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,4-diazepan-5-one

Systemtic Name: 1-[1-(2-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,4-diazepan-5-one Openeye Name: 1-[1-(2-methylsulfonylphenyl)sulfonyl-4-piperidyl]-1,4-diazepan-5-one CAS Name: 1-[1-(2-methylsulfonylphenyl)sulfonyl-4-piperidinyl]-1,4-diazepan-5-one IUPAC Name: 1-[1-(2-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,4-diazepan-5-one Traditional Name: 1-[1-(2-mesylphenyl)sulfonyl-4-piperidyl]-1,4-diazepan-5-one Formula: C17H25N3O5S2 MolecularWeight: 415.5275

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)N3CCC(=O)NCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)N3CCC(=O)NCC3

InChI

InChI=1S/C17H25N3O5S2/c1-26(22,23)15-4-2-3-5-16(15)27(24,25)20-11-6-14(7-12-20)19-10-8-17(21)18-9-13-19/h2-5,14H,6-13H2,1H3,(H,18,21)