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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CCN([C@@H](C1)C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H17N3O2S2/c20-13-14-7-1-4-11-18(14)26(23,24)22-12-6-5-9-16(22)19-21-15-8-2-3-10-17(15)25-19/h1-4,7-8,10-11,16H,5-6,9,12H2/t16-/m0/s1