6-chloranyl-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-chloranyl-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-6-chloro-1,3-benzoxazol-2-one CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-6-chloro-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-6-chloro-1,3-benzoxazol-2-one Traditional Name: 3-[(4-besylpiperazin-1-ium-1-yl)methyl]-6-chloro-1,3-benzoxazol-2-one Formula: C18H19ClN3O4S+ MolecularWeight: 408.87916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Cl)OC2=O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Cl)OC2=O)S(=O)(=O)C4=CC=CC=C4

InChI

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