4-[4-(2-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-(2-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-(2-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-(2-methyl-3-nitrophenyl)sulfonyl-1-piperazinyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-(2-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-(2-methyl-3-nitro-phenyl)sulfonylpiperazino]sulfonylpiazthiole Formula: C17H17N5O6S3 MolecularWeight: 483.54178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O6S3/c1-12-14(22(23)24)5-3-6-15(12)30(25,26)20-8-10-21(11-9-20)31(27,28)16-7-2-4-13-17(16)19-29-18-13/h2-7H,8-11H2,1H3