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

Systemtic Name: 2-[4-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[4-[(2S)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[4-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(2S)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(2S)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]piperidino]sulfonylbenzonitrile Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CCN([C@@H](C1)C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C25H26N4O3S2/c26-17-19-7-1-4-11-23(19)34(31,32)28-15-12-18(13-16-28)25(30)29-14-6-5-9-21(29)24-27-20-8-2-3-10-22(20)33-24/h1-4,7-8,10-11,18,21H,5-6,9,12-16H2/t21-/m0/s1