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Concept information

Preferred term

2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C16H14ClNO4S

inchi

  • InChI=1S/C16H14ClNO4S/c17-13-5-7-14(8-6-13)23(21,22)18-10-12-4-2-1-3-11(12)9-15(18)16(19)20/h1-8,15H,9-10H2,(H,19,20)

inchikey

  • MWFNHAUXOMDUFH-UHFFFAOYSA-N

mass

  • 351.806

monoisotopicmass

  • 351.03321

smiles

  • C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119831

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