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

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-4-(4-methylphenoxy)-1-butanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one Traditional Name: 4-(4-methylphenoxy)-1-(4-piazthiol-4-ylsulfonylpiperazino)butan-1-one Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H24N4O4S2/c1-16-7-9-17(10-8-16)29-15-3-6-20(26)24-11-13-25(14-12-24)31(27,28)19-5-2-4-18-21(19)23-30-22-18/h2,4-5,7-10H,3,6,11-15H2,1H3