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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(2-fluorophenyl)sulfonylpiperazino]butan-1-one Formula: C21H22FN3O3S3 MolecularWeight: 479.611083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H22FN3O3S3/c22-16-6-1-4-9-19(16)31(27,28)25-13-11-24(12-14-25)20(26)10-5-15-29-21-23-17-7-2-3-8-18(17)30-21/h1-4,6-9H,5,10-15H2