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

Systemtic Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-6-chloranyl-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-6-chloro-1,3-benzoxazol-2-one CAS Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-6-chloro-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-6-chloro-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazol-2-one Formula: C18H17ClN5O4S2+ MolecularWeight: 466.94168

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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=CC5=NSN=C54

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Cl)OC2=O)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C18H16ClN5O4S2/c19-12-4-5-14-15(10-12)28-18(25)24(14)11-22-6-8-23(9-7-22)30(26,27)16-3-1-2-13-17(16)21-29-20-13/h1-5,10H,6-9,11H2/p+1