N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: 2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-N-piazthiol-4-yl-acetamide Formula: C19H20N6O5S2 MolecularWeight: 476.5293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H20N6O5S2/c1-13-5-6-14(25(27)28)11-17(13)32(29,30)24-9-7-23(8-10-24)12-18(26)20-15-3-2-4-16-19(15)22-31-21-16/h2-6,11H,7-10,12H2,1H3,(H,20,26)