3-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[(4-mesitylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O)C

InChI

InChI=1S/C21H25N3O4S/c1-15-12-16(2)20(17(3)13-15)29(26,27)23-10-8-22(9-11-23)14-24-18-6-4-5-7-19(18)28-21(24)25/h4-7,12-13H,8-11,14H2,1-3H3/p+1