2-nitro-2-[2-(phenylsulfonyl)ethyl]cycloheptan-1-one

Systemtic Name: 2-nitro-2-[2-(phenylsulfonyl)ethyl]cycloheptan-1-one Openeye Name: 2-[2-(benzenesulfonyl)ethyl]-2-nitro-cycloheptanone CAS Name: 2-[2-(benzenesulfonyl)ethyl]-2-nitro-1-cycloheptanone IUPAC Name: 2-[2-(benzenesulfonyl)ethyl]-2-nitrocycloheptan-1-one Traditional Name: 2-(2-besylethyl)-2-nitro-cycloheptanone Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(CC1)(CCS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)C(CC1)(CCS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19NO5S/c17-14-9-5-2-6-10-15(14,16(18)19)11-12-22(20,21)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2