3-phenyl-5-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole

Systemtic Name: 3-phenyl-5-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-phenyl-isoxazole CAS Name: 3-phenyl-5-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-phenyl-1,2-oxazole Traditional Name: 5-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-phenyl-isoxazole Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S/c25-28(26,17-18-7-3-1-4-8-18)24-13-11-23(12-14-24)16-20-15-21(22-27-20)19-9-5-2-6-10-19/h1-10,15H,11-14,16-17H2/p+1