1,3-benzothiazol-2-ylmethyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H22ClN3O4S2 MolecularWeight: 528.04288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O4S2/c26-21-11-10-19(35(31,32)29-14-12-28(13-15-29)18-6-2-1-3-7-18)16-20(21)25(30)33-17-24-27-22-8-4-5-9-23(22)34-24/h1-11,16H,12-15,17H2