COc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(C(=O)O)cc1

이름: 4-{[N-[2-[4-(4-fluorobenzoyl)piperidino]ethyl}-2-methoxyanilino]-sulfonyl}benzoic acid

IUPAC: 4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl-(2-methoxyphenyl)sulfamoyl]benzoic acid

SMILES: COc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(C(=O)O)cc1

Canonical SMILES: COC1=CC=CC=C1N(CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

분자식: C28H29FN2O6S

분자량: 540.60

InChIKey: OFHRJTNFBSQNCT-UHFFFAOYSA-N

InChI:

InChI=1S/C28H29FN2O6S/c1-37-26-5-3-2-4-25(26)31(38(35,36)24-12-8-22(9-13-24)28(33)34)19-18-30-16-14-21(15-17-30)27(32)20-6-10-23(29)11-7-20/h2-13,21H,14-19H2,1H3,(H,33,34)

PubChem CID: 19689927 →

동의어

SCHEMBL9231803OFHRJTNFBSQNCT-UHFFFAOYSA-N4-{[N-[2-[4-(4-fluorobenzoyl)piperidino]ethyl}-2-methoxyanilino]-sulfonyl}benzoic acid

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