2-[4-[2-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(3-methyl-2-oxo-benzimidazol-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(3-methyl-2-oxo-1-benzimidazolyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-keto-3-methyl-benzimidazol-1-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H21N5O4S/c1-23-17-7-3-4-8-18(17)26(21(23)28)15-20(27)24-10-12-25(13-11-24)31(29,30)19-9-5-2-6-16(19)14-22/h2-9H,10-13,15H2,1H3