4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[3-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[3-(1,3-benzothiazol-2-yl)piperidino]sulfonylbenzonitrile Formula: C19H17N3O2S2 MolecularWeight: 383.48718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17N3O2S2/c20-12-14-7-9-16(10-8-14)26(23,24)22-11-3-4-15(13-22)19-21-17-5-1-2-6-18(17)25-19/h1-2,5-10,15H,3-4,11,13H2