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

Systemtic Name: 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Openeye Name: 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-isoxazole CAS Name: 5-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-phenylisoxazole IUPAC Name: 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Traditional Name: 3-phenyl-5-[(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)methyl]isoxazole Formula: C22H26N3O4S+ MolecularWeight: 428.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4S/c1-2-28-19-8-10-21(11-9-19)30(26,27)25-14-12-24(13-15-25)17-20-16-22(23-29-20)18-6-4-3-5-7-18/h3-11,16H,2,12-15,17H2,1H3/p+1