3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile hydrochloride CAS Name: 3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile hydrochloride IUPAC Name: 3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile hydrochloride Traditional Name: 3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile hydrochloride Formula: C13H18ClN3O2S MolecularWeight: 315.81892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C#N.Cl

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C#N.Cl

InChI

InChI=1S/C13H17N3O2S.ClH/c1-15-6-3-7-16(9-8-15)19(17,18)13-5-2-4-12(10-13)11-14;/h2,4-5,10H,3,6-9H2,1H3;1H