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

Systemtic Name: 3-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[(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(=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O2S2/c20-13-14-6-5-7-15(12-14)26(23,24)22-11-4-3-9-17(22)19-21-16-8-1-2-10-18(16)25-19/h1-2,5-8,10,12,17H,3-4,9,11H2/t17-/m0/s1