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

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-3-(3-methoxyphenyl)-1-propanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one Traditional Name: 3-(3-methoxyphenyl)-1-(4-piazthiol-4-ylsulfonylpiperazino)propan-1-one Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S2/c1-28-16-5-2-4-15(14-16)8-9-19(25)23-10-12-24(13-11-23)30(26,27)18-7-3-6-17-20(18)22-29-21-17/h2-7,14H,8-13H2,1H3