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

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

Isomeric SMILES

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

InChI

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