2-[4-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarbonyl]piperazino]sulfonylbenzonitrile Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC2=NC3=CC=CC=C3S2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CCC(C1)(CC2=NC3=CC=CC=C3S2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

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