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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfonic acid derivative > 3-(4-methylphenyl)sulfonylpropanoic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > 3-(4-methylphenyl)sulfonylpropanoic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester

Preferred term

3-(4-methylphenyl)sulfonylpropanoic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C17H16Cl2N2O5S

inchi

  • InChI=1S/C17H16Cl2N2O5S/c1-11-2-4-13(5-3-11)27(24,25)7-6-16(23)26-10-15(22)21-17-14(19)8-12(18)9-20-17/h2-5,8-9H,6-7,10H2,1H3,(H,20,21,22)

inchikey

  • BUZMITYLYOZNNE-UHFFFAOYSA-N

mass

  • 431.292

monoisotopicmass

  • 430.01570

smiles

  • CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:105622

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