2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(4-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[(4-nosylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole Formula: C18H19N4O4S2+ MolecularWeight: 419.49786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S2/c23-22(24)14-5-7-15(8-6-14)28(25,26)21-11-9-20(10-12-21)13-18-19-16-3-1-2-4-17(16)27-18/h1-8H,9-13H2/p+1