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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S/c1-17-7-9-19(10-8-17)28(25,26)24-13-11-23(12-14-24)16-21-22-15-20(27-21)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/p+1