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

Systemtic Name: 2-[(4-ethanoyl-1,4-diazepan-1-yl)sulfonyl]benzenecarbonitrile Openeye Name: 2-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile CAS Name: 2-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile IUPAC Name: 2-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile Traditional Name: 2-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C14H17N3O3S/c1-12(18)16-7-4-8-17(10-9-16)21(19,20)14-6-3-2-5-13(14)11-15/h2-3,5-6H,4,7-10H2,1H3