3-[(4-ethanoyl-1,4-diazepan-1-yl)sulfonyl]benzenecarbonitrile

Systemtic Name: 3-[(4-ethanoyl-1,4-diazepan-1-yl)sulfonyl]benzenecarbonitrile Openeye Name: 3-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile CAS Name: 3-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile IUPAC Name: 3-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile Traditional Name: 3-[(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(=C2)C#N

Isomeric SMILES

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

InChI

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