1,3-benzothiazol-2-ylmethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H22FN3O4S2 MolecularWeight: 511.588283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H22FN3O4S2/c26-19-8-10-20(11-9-19)28-12-14-29(15-13-28)35(31,32)21-5-3-4-18(16-21)25(30)33-17-24-27-22-6-1-2-7-23(22)34-24/h1-11,16H,12-15,17H2