2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C19H21N4O4S2+ MolecularWeight: 433.52444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N4O4S2/c1-14-6-7-15(23(24)25)12-18(14)29(26,27)22-10-8-21(9-11-22)13-19-20-16-4-2-3-5-17(16)28-19/h2-7,12H,8-11,13H2,1H3/p+1