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

Systemtic Name: 4-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[[3-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonylmethyl]benzonitrile CAS Name: 4-[[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonylmethyl]benzonitrile IUPAC Name: 4-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylmethyl]benzonitrile Traditional Name: 4-[[3-(1,3-benzothiazol-2-yl)piperidino]sulfonylmethyl]benzonitrile Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19N3O2S2/c21-12-15-7-9-16(10-8-15)14-27(24,25)23-11-3-4-17(13-23)20-22-18-5-1-2-6-19(18)26-20/h1-2,5-10,17H,3-4,11,13-14H2