2-(1,4-diazepan-1-ylsulfonyl)benzenecarbonitrile

Systemtic Name: 2-(1,4-diazepan-1-ylsulfonyl)benzenecarbonitrile Openeye Name: 2-(1,4-diazepan-1-ylsulfonyl)benzonitrile CAS Name: 2-(1,4-diazepan-1-ylsulfonyl)benzonitrile IUPAC Name: 2-(1,4-diazepan-1-ylsulfonyl)benzonitrile Traditional Name: 2-(1,4-diazepan-1-ylsulfonyl)benzonitrile Formula: C12H15N3O2S MolecularWeight: 265.3314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C12H15N3O2S/c13-10-11-4-1-2-5-12(11)18(16,17)15-8-3-6-14-7-9-15/h1-2,4-5,14H,3,6-9H2