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

Systemtic Name: 2-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-yl]ethyl 3,4-bis(chloranyl)benzoate Openeye Name: 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic 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 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid 2-[4-(1,1-diketo-1,2-benzothiazol-3-yl)piperazino]ethyl ester Formula: C20H19Cl2N3O4S MolecularWeight: 468.35356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19Cl2N3O4S/c21-16-6-5-14(13-17(16)22)20(26)29-12-11-24-7-9-25(10-8-24)19-15-3-1-2-4-18(15)30(27,28)23-19/h1-6,13H,7-12H2