2-[4-(2-imidazol-1-ylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-imidazol-1-ylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(1-imidazolyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-imidazol-1-ylacetyl)piperazino]sulfonylbenzonitrile Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=CN=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=CN=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H17N5O3S/c17-11-14-3-1-2-4-15(14)25(23,24)21-9-7-20(8-10-21)16(22)12-19-6-5-18-13-19/h1-6,13H,7-10,12H2