2-[4-[5-(1,3-benzothiazol-2-yl)pentanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[5-(1,3-benzothiazol-2-yl)pentanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[5-(1,3-benzothiazol-2-yl)pentanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[5-(1,3-benzothiazol-2-yl)-1-oxopentyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[5-(1,3-benzothiazol-2-yl)pentanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[5-(1,3-benzothiazol-2-yl)pentanoyl]piperazino]sulfonylbenzonitrile Formula: C23H24N4O3S2 MolecularWeight: 468.59166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H24N4O3S2/c24-17-18-7-1-4-10-21(18)32(29,30)27-15-13-26(14-16-27)23(28)12-6-5-11-22-25-19-8-2-3-9-20(19)31-22/h1-4,7-10H,5-6,11-16H2