2-(3-oxidanylideneazepan-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 2-(3-oxidanylideneazepan-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-(3-oxoazepan-1-yl)sulfonylbenzonitrile CAS Name: 2-[(3-oxo-1-azepanyl)sulfonyl]benzonitrile IUPAC Name: 2-(3-oxoazepan-1-yl)sulfonylbenzonitrile Traditional Name: 2-(3-ketoazepan-1-yl)sulfonylbenzonitrile Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(=O)C1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

C1CCN(CC(=O)C1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C13H14N2O3S/c14-9-11-5-1-2-7-13(11)19(17,18)15-8-4-3-6-12(16)10-15/h1-2,5,7H,3-4,6,8,10H2