4-(1,3-benzothiazol-2-yl)-1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]butan-1-one Formula: C21H21ClFN3O3S2 MolecularWeight: 481.991143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H21ClFN3O3S2/c22-16-14-15(8-9-17(16)23)31(28,29)26-12-10-25(11-13-26)21(27)7-3-6-20-24-18-4-1-2-5-19(18)30-20/h1-2,4-5,8-9,14H,3,6-7,10-13H2