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

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-(3,5-dimethoxyphenyl)methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone Traditional Name: (3,5-dimethoxyphenyl)-(4-piazthiol-4-ylsulfonylpiperazino)methanone Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)OC

InChI

InChI=1S/C19H20N4O5S2/c1-27-14-10-13(11-15(12-14)28-2)19(24)22-6-8-23(9-7-22)30(25,26)17-5-3-4-16-18(17)21-29-20-16/h3-5,10-12H,6-9H2,1-2H3