1-[3,3-bis(phenylsulfonyl)propyl]azepan-2-one

Systemtic Name: 1-[3,3-bis(phenylsulfonyl)propyl]azepan-2-one Openeye Name: 1-[3,3-bis(benzenesulfonyl)propyl]azepan-2-one CAS Name: 1-[3,3-bis(benzenesulfonyl)propyl]-2-azepanone IUPAC Name: 1-[3,3-bis(benzenesulfonyl)propyl]azepan-2-one Traditional Name: 1-(3,3-dibesylpropyl)azepan-2-one Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCC(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CCC(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO5S2/c23-20-14-8-3-9-16-22(20)17-15-21(28(24,25)18-10-4-1-5-11-18)29(26,27)19-12-6-2-7-13-19/h1-2,4-7,10-13,21H,3,8-9,14-17H2