1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-phenoxy-butan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1C(=O)CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H22N4O4S2/c25-19(10-5-15-28-16-6-2-1-3-7-16)23-11-13-24(14-12-23)30(26,27)18-9-4-8-17-20(18)22-29-21-17/h1-4,6-9H,5,10-15H2