2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[3-(1H-benzimidazol-2-yl)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazino]sulfonylbenzonitrile Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H21N5O3S/c22-15-16-5-1-4-8-19(16)30(28,29)26-13-11-25(12-14-26)21(27)10-9-20-23-17-6-2-3-7-18(17)24-20/h1-8H,9-14H2,(H,23,24)