5-azanyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzenecarbonitrile

Systemtic Name: 5-azanyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzenecarbonitrile Openeye Name: 5-amino-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile CAS Name: 5-amino-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile IUPAC Name: 5-amino-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile Traditional Name: 5-amino-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile Formula: C13H18N4O2S MolecularWeight: 294.37262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)N)C#N

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)N)C#N

InChI

InChI=1S/C13H18N4O2S/c1-16-5-2-6-17(8-7-16)20(18,19)13-4-3-12(15)9-11(13)10-14/h3-4,9H,2,5-8,15H2,1H3