1-(phenylsulfonyl)cycloheptane-1-carbonitrile

Systemtic Name: 1-(phenylsulfonyl)cycloheptane-1-carbonitrile Openeye Name: 1-(benzenesulfonyl)cycloheptanecarbonitrile CAS Name: 1-(benzenesulfonyl)-1-cycloheptanecarbonitrile IUPAC Name: 1-(benzenesulfonyl)cycloheptane-1-carbonitrile Traditional Name: 1-besylcycloheptanecarbonitrile Formula: C14H17NO2S MolecularWeight: 263.35528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCCC(CC1)(C#N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17NO2S/c15-12-14(10-6-1-2-7-11-14)18(16,17)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-11H2