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

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethoxyphenyl)propan-1-one Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethoxyphenyl)propan-1-one CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-3-(3,5-dimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethoxyphenyl)propan-1-one Traditional Name: 3-(3,5-dimethoxyphenyl)-1-(4-piazthiol-4-ylsulfonylpiperazino)propan-1-one Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S2/c1-29-16-12-15(13-17(14-16)30-2)6-7-20(26)24-8-10-25(11-9-24)32(27,28)19-5-3-4-18-21(19)23-31-22-18/h3-5,12-14H,6-11H2,1-2H3