5-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole; ethanedioic acid

Systemtic Name: 5-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole; ethanedioic acid Openeye Name: 5-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-thiazole; oxalic acid CAS Name: 5-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinyl]methyl]-2-phenylthiazole; oxalic acid IUPAC Name: 5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole; oxalic acid Traditional Name: 5-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazino]methyl]-2-phenyl-thiazole; oxalic acid Formula: C22H21BrClN3O6S2 MolecularWeight: 602.90564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=C(S2)C3=CC=CC=C3)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CN=C(S2)C3=CC=CC=C3)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H19BrClN3O2S2.C2H2O4/c21-16-6-7-19(18(22)12-16)29(26,27)25-10-8-24(9-11-25)14-17-13-23-20(28-17)15-4-2-1-3-5-15;3-1(4)2(5)6/h1-7,12-13H,8-11,14H2;(H,3,4)(H,5,6)