5-azanyl-2-(3-oxidanylpiperidin-1-yl)sulfonyl-benzenecarbonitrile

Systemtic Name: 5-azanyl-2-(3-oxidanylpiperidin-1-yl)sulfonyl-benzenecarbonitrile Openeye Name: 5-amino-2-[(3-hydroxy-1-piperidyl)sulfonyl]benzonitrile CAS Name: 5-amino-2-[(3-hydroxy-1-piperidinyl)sulfonyl]benzonitrile IUPAC Name: 5-amino-2-(3-hydroxypiperidin-1-yl)sulfonylbenzonitrile Traditional Name: 5-amino-2-(3-hydroxypiperidino)sulfonyl-benzonitrile Formula: C12H15N3O3S MolecularWeight: 281.3308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3S/c13-7-9-6-10(14)3-4-12(9)19(17,18)15-5-1-2-11(16)8-15/h3-4,6,11,16H,1-2,5,8,14H2