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CHEBI:116784 - 2-[4-[1-[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]propyl]-1-piperazinyl]-1,3-benzothiazole

ChEBI IDCHEBI:116784
ChEBI Name2-[4-[1-[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]propyl]-1-piperazinyl]-1,3-benzothiazole
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DownloadsMolfile
FormulaC23H27N7O2S2
Net Charge0
Average Mass497.650
Monoisotopic Mass497.16677
SMILESCCC(c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C23H27N7O2S2/c1-3-20(22-25-26-27-30(22)16-34(31,32)18-10-8-17(2)9-11-18)28-12-14-29(15-13-28)23-24-19-6-4-5-7-21(19)33-23/h4-11,20H,3,12-16H2,1-2H3
InChIKeyGYKMEFCRUFUXED-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-[4-[1-[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]propyl]-1-piperazinyl]-1,3-benzothiazole (CHEBI:116784) is a N-arylpiperazine (CHEBI:46848)
Manual XrefsDatabases
LSM-28236LINCS