4-(4-chlorophenyl)sulfonyl-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-chlorophenyl)sulfonyl-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-chlorophenyl)sulfonyl-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-chlorophenyl)sulfonyl-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(4-chlorophenyl)sulfonyl-1-[4-(4-mesyl-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C22H24ClN3O5S3 MolecularWeight: 542.09106

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O5S3/c1-33(28,29)19-5-2-4-18-21(19)24-22(32-18)26-13-11-25(12-14-26)20(27)6-3-15-34(30,31)17-9-7-16(23)8-10-17/h2,4-5,7-10H,3,6,11-15H2,1H3