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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(4-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=C(C=C4)F

Isomeric SMILES

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

InChI

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