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

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3-methyl-2-nitro-phenyl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3-methyl-2-nitro-phenyl)methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-(3-methyl-2-nitrophenyl)methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3-methyl-2-nitrophenyl)methanone Traditional Name: (3-methyl-2-nitro-phenyl)-(4-piazthiol-4-ylsulfonylpiperazino)methanone Formula: C18H17N5O5S2 MolecularWeight: 447.48808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H17N5O5S2/c1-12-4-2-5-13(17(12)23(25)26)18(24)21-8-10-22(11-9-21)30(27,28)15-7-3-6-14-16(15)20-29-19-14/h2-7H,8-11H2,1H3