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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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