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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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