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CHEBI:43787 - 4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-N-[4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrobenzenesulfonyl]benzamide

ChEBI IDCHEBI:43787
ChEBI Name4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-N-[4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrobenzenesulfonyl]benzamide
Stars
ASCII Name4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-N-[4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrobenzenesulfonyl]benzamide
Last Modified17 October 2009
DownloadsMolfile
FormulaC40H41N5O5S2
Net Charge0
Average Mass735.932
Monoisotopic Mass735.25491
SMILES[H]c1c([H])c([H])c(SC([H])([H])C(N([H])c2c([H])c([H])c(S(=O)(=O)N([H])C(=O)c3c([H])c([H])c(N4C([H])([H])C([H])([H])N(C([H])([H])c5c([H])c([H])c([H])c([H])c5-c5c([H])c([H])c([H])c([H])c5[H])C([H])([H])C4([H])[H])c([H])c3[H])c([H])c2[N+](=O)[O-])(C([H])([H])[H])C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C40H41N5O5S2/c1-40(2,29-51-34-14-7-4-8-15-34)41-37-22-21-35(27-38(37)45(47)48)52(49,50)42-39(46)31-17-19-33(20-18-31)44-25-23-43(24-26-44)28-32-13-9-10-16-36(32)30-11-5-3-6-12-30/h3-22,27,41H,23-26,28-29H2,1-2H3,(H,42,46)
InChIKeyQASBRWUYQCIPKZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-N-[4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrobenzenesulfonyl]benzamide (CHEBI:43787) is a C-nitro compound (CHEBI:35716)
4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-N-[4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrobenzenesulfonyl]benzamide (CHEBI:43787) is a N-alkylpiperazine (CHEBI:46845)
4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-N-[4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrobenzenesulfonyl]benzamide (CHEBI:43787) is a N-arylpiperazine (CHEBI:46848)
4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-N-[4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrobenzenesulfonyl]benzamide (CHEBI:43787) is a benzamides (CHEBI:22702)
4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-N-[4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrobenzenesulfonyl]benzamide (CHEBI:43787) is a biphenyls (CHEBI:22888)
4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-N-[4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrobenzenesulfonyl]benzamide (CHEBI:43787) is a sulfonamide (CHEBI:35358)
Synonyms  Source
4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDEPDBeChem
4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-N-[(4-{[1,1-dimethyl-2-(phenylsulfanyl)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamidePDBeChem
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