2-[4-[3-(imidazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(imidazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[3-(1-imidazolylmethyl)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(imidazol-1-ylmethyl)benzoyl]piperazino]sulfonylbenzonitrile Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)CN3C=CN=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)CN3C=CN=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H21N5O3S/c23-15-20-5-1-2-7-21(20)31(29,30)27-12-10-26(11-13-27)22(28)19-6-3-4-18(14-19)16-25-9-8-24-17-25/h1-9,14,17H,10-13,16H2