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

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-cyclohexyl-butan-1-one Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-cyclohexyl-butan-1-one CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-4-cyclohexyl-1-butanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-cyclohexylbutan-1-one Traditional Name: 4-cyclohexyl-1-(4-piazthiol-4-ylsulfonylpiperazino)butan-1-one Formula: C20H28N4O3S2 MolecularWeight: 436.59132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCC(CC1)CCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H28N4O3S2/c25-19(11-4-8-16-6-2-1-3-7-16)23-12-14-24(15-13-23)29(26,27)18-10-5-9-17-20(18)22-28-21-17/h5,9-10,16H,1-4,6-8,11-15H2