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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole Openeye Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-oxazole CAS Name: 2-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-phenyloxazole IUPAC Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole Traditional Name: 5-phenyl-2-[(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)methyl]oxazole 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=NC=C(O3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=CC=C4

InChI

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