3,5-dimethyl-4-[4-[1-(phenylmethyl)benzimidazol-2-yl]piperazin-1-yl]sulfonyl-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[4-[1-(phenylmethyl)benzimidazol-2-yl]piperazin-1-yl]sulfonyl-1,2-oxazole Openeye Name: 4-[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]sulfonyl-3,5-dimethyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-[1-(phenylmethyl)-2-benzimidazolyl]-1-piperazinyl]sulfonyl]isoxazole IUPAC Name: 4-[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[4-(1-benzylbenzimidazol-2-yl)piperazino]sulfonyl-3,5-dimethyl-isoxazole Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C23H25N5O3S/c1-17-22(18(2)31-25-17)32(29,30)27-14-12-26(13-15-27)23-24-20-10-6-7-11-21(20)28(23)16-19-8-4-3-5-9-19/h3-11H,12-16H2,1-2H3