2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C19H21N4O5S2+ MolecularWeight: 449.52384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S2/c1-28-17-7-6-14(12-16(17)23(24)25)30(26,27)22-10-8-21(9-11-22)13-19-20-15-4-2-3-5-18(15)29-19/h2-7,12H,8-11,13H2,1H3/p+1