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

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

C1CC(CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H26N4O3S2/c26-16-18-7-9-21(10-8-18)34(31,32)29-14-11-19(12-15-29)25(30)28-13-3-4-20(17-28)24-27-22-5-1-2-6-23(22)33-24/h1-2,5-10,19-20H,3-4,11-15,17H2/t20-/m0/s1