4-(azetidin-3-ylmethylsulfonyl)benzenecarbonitrile hydrochloride

Systemtic Name: 4-(azetidin-3-ylmethylsulfonyl)benzenecarbonitrile hydrochloride Openeye Name: 4-(azetidin-3-ylmethylsulfonyl)benzonitrile hydrochloride CAS Name: 4-(3-azetidinylmethylsulfonyl)benzonitrile hydrochloride IUPAC Name: 4-(azetidin-3-ylmethylsulfonyl)benzonitrile hydrochloride Traditional Name: 4-(azetidin-3-ylmethylsulfonyl)benzonitrile hydrochloride Formula: C11H13ClN2O2S MolecularWeight: 272.75112

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1)CS(=O)(=O)C2=CC=C(C=C2)C#N.Cl

Isomeric SMILES

C1C(CN1)CS(=O)(=O)C2=CC=C(C=C2)C#N.Cl

InChI

InChI=1S/C11H12N2O2S.ClH/c12-5-9-1-3-11(4-2-9)16(14,15)8-10-6-13-7-10;/h1-4,10,13H,6-8H2;1H