2-(azepan-1-ylsulfonyl)benzenecarbonitrile

Systemtic Name: 2-(azepan-1-ylsulfonyl)benzenecarbonitrile Openeye Name: 2-(azepan-1-ylsulfonyl)benzonitrile CAS Name: 2-(1-azepanylsulfonyl)benzonitrile IUPAC Name: 2-(azepan-1-ylsulfonyl)benzonitrile Traditional Name: 2-(azepan-1-ylsulfonyl)benzonitrile Formula: C13H16N2O2S MolecularWeight: 264.34334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C13H16N2O2S/c14-11-12-7-3-4-8-13(12)18(16,17)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10H2