3-(1,3-benzothiazol-2-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazino]propan-1-one Formula: C20H20FN3O3S2 MolecularWeight: 433.519503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C20H20FN3O3S2/c21-15-4-3-5-16(14-15)29(26,27)24-12-10-23(11-13-24)20(25)9-8-19-22-17-6-1-2-7-18(17)28-19/h1-7,14H,8-13H2