3-(1,4-diazepan-1-ylsulfonyl)benzenecarbonitrile

Systemtic Name: 3-(1,4-diazepan-1-ylsulfonyl)benzenecarbonitrile Openeye Name: 3-(1,4-diazepan-1-ylsulfonyl)benzonitrile CAS Name: 3-(1,4-diazepan-1-ylsulfonyl)benzonitrile IUPAC Name: 3-(1,4-diazepan-1-ylsulfonyl)benzonitrile Traditional Name: 3-(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(=C2)C#N

Isomeric SMILES

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

InChI

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