[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-(3,5-dimethylphenyl)methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone Traditional Name: (3,5-dimethylphenyl)-(4-piazthiol-4-ylsulfonylpiperazino)methanone Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C

InChI

InChI=1S/C19H20N4O3S2/c1-13-10-14(2)12-15(11-13)19(24)22-6-8-23(9-7-22)28(25,26)17-5-3-4-16-18(17)21-27-20-16/h3-5,10-12H,6-9H2,1-2H3