4-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]benzenecarbonitrile

Systemtic Name: 4-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]benzenecarbonitrile Openeye Name: 4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)benzonitrile CAS Name: 4-[(4-methylsulfonyl-1,4-diazepan-1-yl)-oxomethyl]benzonitrile IUPAC Name: 4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)benzonitrile Traditional Name: 4-(4-mesyl-1,4-diazepane-1-carbonyl)benzonitrile Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c1-21(19,20)17-8-2-7-16(9-10-17)14(18)13-5-3-12(11-15)4-6-13/h3-6H,2,7-10H2,1H3