2-[4-[4-(1H-benzimidazol-2-ylsulfanyl)butanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-(1H-benzimidazol-2-ylsulfanyl)butanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(1H-benzimidazol-2-ylsulfanyl)butanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[4-(1H-benzimidazol-2-ylthio)-1-oxobutyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(1H-benzimidazol-2-ylsulfanyl)butanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(1H-benzimidazol-2-ylthio)butanoyl]piperazino]sulfonylbenzonitrile Formula: C22H23N5O3S2 MolecularWeight: 469.57972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H23N5O3S2/c23-16-17-6-1-4-9-20(17)32(29,30)27-13-11-26(12-14-27)21(28)10-5-15-31-22-24-18-7-2-3-8-19(18)25-22/h1-4,6-9H,5,10-15H2,(H,24,25)