4-chloranyl-2-(1,4-diazepan-1-ylsulfonyl)benzenecarbonitrile

Systemtic Name: 4-chloranyl-2-(1,4-diazepan-1-ylsulfonyl)benzenecarbonitrile Openeye Name: 4-chloro-2-(1,4-diazepan-1-ylsulfonyl)benzonitrile CAS Name: 4-chloro-2-(1,4-diazepan-1-ylsulfonyl)benzonitrile IUPAC Name: 4-chloro-2-(1,4-diazepan-1-ylsulfonyl)benzonitrile Traditional Name: 4-chloro-2-(1,4-diazepan-1-ylsulfonyl)benzonitrile Formula: C12H14ClN3O2S MolecularWeight: 299.77646

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C12H14ClN3O2S/c13-11-3-2-10(9-14)12(8-11)19(17,18)16-6-1-4-15-5-7-16/h2-3,8,15H,1,4-7H2