3-[4-[(2-methylsulfonyl-4-phenyl-1H-imidazol-5-yl)carbonyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[(2-methylsulfonyl-4-phenyl-1H-imidazol-5-yl)carbonyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-(2-methylsulfonyl-4-phenyl-1H-imidazole-5-carbonyl)piperazin-1-yl]benzonitrile CAS Name: 3-[4-[(2-methylsulfonyl-4-phenyl-1H-imidazol-5-yl)-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-[4-(2-methylsulfonyl-4-phenyl-1H-imidazole-5-carbonyl)piperazin-1-yl]benzonitrile Traditional Name: 3-[4-(2-mesyl-4-phenyl-1H-imidazole-5-carbonyl)piperazino]benzonitrile Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=C(N1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=NC(=C(N1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3S/c1-31(29,30)22-24-19(17-7-3-2-4-8-17)20(25-22)21(28)27-12-10-26(11-13-27)18-9-5-6-16(14-18)15-23/h2-9,14H,10-13H2,1H3,(H,24,25)