2-(3-azanylpiperidin-1-yl)sulfonyl-4-chloranyl-benzenecarbonitrile

Systemtic Name: 2-(3-azanylpiperidin-1-yl)sulfonyl-4-chloranyl-benzenecarbonitrile Openeye Name: 2-[(3-amino-1-piperidyl)sulfonyl]-4-chloro-benzonitrile CAS Name: 2-[(3-amino-1-piperidinyl)sulfonyl]-4-chlorobenzonitrile IUPAC Name: 2-(3-aminopiperidin-1-yl)sulfonyl-4-chlorobenzonitrile Traditional Name: 2-(3-aminopiperidino)sulfonyl-4-chloro-benzonitrile Formula: C12H14ClN3O2S MolecularWeight: 299.77646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)C#N)N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)C#N)N

InChI

InChI=1S/C12H14ClN3O2S/c13-10-4-3-9(7-14)12(6-10)19(17,18)16-5-1-2-11(15)8-16/h3-4,6,11H,1-2,5,8,15H2