2-chloranyl-4-[(4-ethanoyl-1,4-diazepan-1-yl)sulfonyl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[(4-ethanoyl-1,4-diazepan-1-yl)sulfonyl]benzenecarbonitrile Openeye Name: 4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-2-chloro-benzonitrile CAS Name: 4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-2-chlorobenzonitrile IUPAC Name: 4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-2-chlorobenzonitrile Traditional Name: 4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-2-chloro-benzonitrile Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C14H16ClN3O3S/c1-11(19)17-5-2-6-18(8-7-17)22(20,21)13-4-3-12(10-16)14(15)9-13/h3-4,9H,2,5-8H2,1H3