1-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylsulfonyl)butan-1-one

Systemtic Name: 1-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylsulfonyl)butan-1-one Openeye Name: 4-(benzenesulfonyl)-1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(benzenesulfonyl)-1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(benzenesulfonyl)-1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-besyl-1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C22H24ClN3O3S2 MolecularWeight: 478.02726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H24ClN3O3S2/c1-16-18(23)9-10-19-21(16)24-22(30-19)26-13-11-25(12-14-26)20(27)8-5-15-31(28,29)17-6-3-2-4-7-17/h2-4,6-7,9-10H,5,8,11-15H2,1H3