1,3-benzothiazol-2-ylmethyl 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H21ClFN3O4S2 MolecularWeight: 546.033343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClFN3O4S2/c26-20-10-5-17(25(31)34-16-24-28-21-3-1-2-4-22(21)35-24)15-23(20)36(32,33)30-13-11-29(12-14-30)19-8-6-18(27)7-9-19/h1-10,15H,11-14,16H2