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

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-3-(3,4-dimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one Traditional Name: 3-(3,4-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=C(C=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)OC

Isomeric SMILES

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

InChI

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