2-[4-(2-methylsulfonylethyl)-1,4-diazepan-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(2-methylsulfonylethyl)-1,4-diazepan-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(2-methylsulfonylethyl)-1,4-diazepan-1-yl]benzonitrile CAS Name: 2-[4-(2-methylsulfonylethyl)-1,4-diazepan-1-yl]benzonitrile IUPAC Name: 2-[4-(2-methylsulfonylethyl)-1,4-diazepan-1-yl]benzonitrile Traditional Name: 2-[4-(2-mesylethyl)-1,4-diazepan-1-yl]benzonitrile Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCN1CCCN(CC1)C2=CC=CC=C2C#N

Isomeric SMILES

CS(=O)(=O)CCN1CCCN(CC1)C2=CC=CC=C2C#N

InChI

InChI=1S/C15H21N3O2S/c1-21(19,20)12-11-17-7-4-8-18(10-9-17)15-6-3-2-5-14(15)13-16/h2-3,5-6H,4,7-12H2,1H3