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

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-(4-ethoxyphenoxy)butan-1-one Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-(4-ethoxyphenoxy)butan-1-one CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-4-(4-ethoxyphenoxy)-1-butanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-(4-ethoxyphenoxy)butan-1-one Traditional Name: 4-(4-ethoxyphenoxy)-1-(4-piazthiol-4-ylsulfonylpiperazino)butan-1-one Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C22H26N4O5S2/c1-2-30-17-8-10-18(11-9-17)31-16-4-7-21(27)25-12-14-26(15-13-25)33(28,29)20-6-3-5-19-22(20)24-32-23-19/h3,5-6,8-11H,2,4,7,12-16H2,1H3