3-[1-(phenylmethyl)sulfonylazepan-2-yl]propanenitrile

Systemtic Name: 3-[1-(phenylmethyl)sulfonylazepan-2-yl]propanenitrile Openeye Name: 3-(1-benzylsulfonylazepan-2-yl)propanenitrile CAS Name: 3-[1-(phenylmethyl)sulfonyl-2-azepanyl]propanenitrile IUPAC Name: 3-(1-benzylsulfonylazepan-2-yl)propanenitrile Traditional Name: 3-(1-benzylsulfonylazepan-2-yl)propionitrile Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)S(=O)(=O)CC2=CC=CC=C2)CCC#N

Isomeric SMILES

C1CCC(N(CC1)S(=O)(=O)CC2=CC=CC=C2)CCC#N

InChI

InChI=1S/C16H22N2O2S/c17-12-7-11-16-10-5-2-6-13-18(16)21(19,20)14-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-11,13-14H2