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

Systemtic Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]benzonitrile CAS Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]benzonitrile IUPAC Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]benzonitrile Traditional Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]benzonitrile Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)CC2=CC=CC=C2C#N

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)CC2=CC=CC=C2C#N

InChI

InChI=1S/C14H19N3O2S/c1-16-7-4-8-17(10-9-16)20(18,19)12-14-6-3-2-5-13(14)11-15/h2-3,5-6H,4,7-10,12H2,1H3