4-(azepan-1-ylsulfonylmethyl)benzenecarbonitrile

Systemtic Name: 4-(azepan-1-ylsulfonylmethyl)benzenecarbonitrile Openeye Name: 4-(azepan-1-ylsulfonylmethyl)benzonitrile CAS Name: 4-(1-azepanylsulfonylmethyl)benzonitrile IUPAC Name: 4-(azepan-1-ylsulfonylmethyl)benzonitrile Traditional Name: 4-(azepan-1-ylsulfonylmethyl)benzonitrile Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H18N2O2S/c15-11-13-5-7-14(8-6-13)12-19(17,18)16-9-3-1-2-4-10-16/h5-8H,1-4,9-10,12H2