1-[4-(6-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylsulfonyl)butan-1-one

Systemtic Name: 1-[4-(6-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylsulfonyl)butan-1-one Openeye Name: 4-(benzenesulfonyl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(benzenesulfonyl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(benzenesulfonyl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-besyl-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C21H22FN3O3S2 MolecularWeight: 447.546083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)F)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)F)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22FN3O3S2/c22-16-8-9-18-19(15-16)29-21(23-18)25-12-10-24(11-13-25)20(26)7-4-14-30(27,28)17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14H2