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

Systemtic Name: 3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C18H19ClN3O4S+ MolecularWeight: 408.87916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=O)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=O)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H18ClN3O4S/c19-14-5-7-15(8-6-14)27(24,25)21-11-9-20(10-12-21)13-22-16-3-1-2-4-17(16)26-18(22)23/h1-8H,9-13H2/p+1