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

Systemtic Name: (4-azanyl-3-nitro-phenyl)-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (4-amino-3-nitro-phenyl)-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methanone CAS Name: (4-amino-3-nitrophenyl)-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (4-amino-3-nitrophenyl)-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: (4-amino-3-nitro-phenyl)-(4-piazthiol-4-ylsulfonylpiperazino)methanone Formula: C17H16N6O5S2 MolecularWeight: 448.47614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O5S2/c18-12-5-4-11(10-14(12)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,6-9,18H2