[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-chloranyl-2-nitro-phenyl)methanone

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-chloranyl-2-nitro-phenyl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-chloro-2-nitro-phenyl)methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-(4-chloro-2-nitrophenyl)methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-chloro-2-nitrophenyl)methanone Traditional Name: (4-chloro-2-nitro-phenyl)-(4-piazthiol-4-ylsulfonylpiperazino)methanone Formula: C17H14ClN5O5S2 MolecularWeight: 467.90656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H14ClN5O5S2/c18-11-4-5-12(14(10-11)23(25)26)17(24)21-6-8-22(9-7-21)30(27,28)15-3-1-2-13-16(15)20-29-19-13/h1-5,10H,6-9H2