5-azanyl-2-(azepan-1-ylsulfonyl)benzenecarbonitrile

Systemtic Name: 5-azanyl-2-(azepan-1-ylsulfonyl)benzenecarbonitrile Openeye Name: 5-amino-2-(azepan-1-ylsulfonyl)benzonitrile CAS Name: 5-amino-2-(1-azepanylsulfonyl)benzonitrile IUPAC Name: 5-amino-2-(azepan-1-ylsulfonyl)benzonitrile Traditional Name: 5-amino-2-(azepan-1-ylsulfonyl)benzonitrile Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)N)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)N)C#N

InChI

InChI=1S/C13H17N3O2S/c14-10-11-9-12(15)5-6-13(11)19(17,18)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,15H2