2-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-yl]ethyl 4-fluoranylbenzoate

Systemtic Name: 2-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-yl]ethyl 4-fluoranylbenzoate Openeye Name: 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid 2-[4-(1,1-diketo-1,2-benzothiazol-3-yl)piperazino]ethyl ester Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C2=CC=C(C=C2)F)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCOC(=O)C2=CC=C(C=C2)F)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H20FN3O4S/c21-16-7-5-15(6-8-16)20(25)28-14-13-23-9-11-24(12-10-23)19-17-3-1-2-4-18(17)29(26,27)22-19/h1-8H,9-14H2