2-[4-(1,2-dimethylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(1,2-dimethylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(1,2-dimethylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(1,2-dimethyl-4-imidazolyl)sulfonyl]-1,4-diazepan-1-yl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(1,2-dimethylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(1,2-dimethylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]nicotinonitrile Formula: C16H20N6O2S MolecularWeight: 360.434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1C)S(=O)(=O)N2CCCN(CC2)C3=C(C=CC=N3)C#N

Isomeric SMILES

CC1=NC(=CN1C)S(=O)(=O)N2CCCN(CC2)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C16H20N6O2S/c1-13-19-15(12-20(13)2)25(23,24)22-8-4-7-21(9-10-22)16-14(11-17)5-3-6-18-16/h3,5-6,12H,4,7-10H2,1-2H3