3-[[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C20H22N3O5S+ MolecularWeight: 416.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H21N3O5S/c1-15(24)16-6-8-17(9-7-16)29(26,27)22-12-10-21(11-13-22)14-23-18-4-2-3-5-19(18)28-20(23)25/h2-9H,10-14H2,1H3/p+1