4,6-dimethyl-2-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile Openeye Name: 2-(4-benzylsulfonyl-1,4-diazepan-1-yl)-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridinecarbonitrile IUPAC Name: 2-(4-benzylsulfonyl-1,4-diazepan-1-yl)-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-(4-benzylsulfonyl-1,4-diazepan-1-yl)-4,6-dimethyl-nicotinonitrile Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H24N4O2S/c1-16-13-17(2)22-20(19(16)14-21)23-9-6-10-24(12-11-23)27(25,26)15-18-7-4-3-5-8-18/h3-5,7-8,13H,6,9-12,15H2,1-2H3