4-(azepan-1-ylsulfonyl)-2-chloranyl-benzenecarbonitrile

Systemtic Name: 4-(azepan-1-ylsulfonyl)-2-chloranyl-benzenecarbonitrile Openeye Name: 4-(azepan-1-ylsulfonyl)-2-chloro-benzonitrile CAS Name: 4-(1-azepanylsulfonyl)-2-chlorobenzonitrile IUPAC Name: 4-(azepan-1-ylsulfonyl)-2-chlorobenzonitrile Traditional Name: 4-(azepan-1-ylsulfonyl)-2-chloro-benzonitrile Formula: C13H15ClN2O2S MolecularWeight: 298.7884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O2S/c14-13-9-12(6-5-11(13)10-15)19(17,18)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8H2