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

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

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

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