3-(azepan-1-ylsulfonyl)benzenecarbonitrile

Systemtic Name: 3-(azepan-1-ylsulfonyl)benzenecarbonitrile Openeye Name: 3-(azepan-1-ylsulfonyl)benzonitrile CAS Name: 3-(1-azepanylsulfonyl)benzonitrile IUPAC Name: 3-(azepan-1-ylsulfonyl)benzonitrile Traditional Name: 3-(azepan-1-ylsulfonyl)benzonitrile Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H16N2O2S/c14-11-12-6-5-7-13(10-12)18(16,17)15-8-3-1-2-4-9-15/h5-7,10H,1-4,8-9H2