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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 > organosulfur compound > sulfonamide > 3-chloro-n-[(2s,3r)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-n-[(2s)-1-hydroxypropan-2-yl]benzenesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 3-chloro-n-[(2s,3r)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-n-[(2s)-1-hydroxypropan-2-yl]benzenesulfonamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 3-chloro-n-[(2s,3r)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-n-[(2s)-1-hydroxypropan-2-yl]benzenesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > 3-chloro-n-[(2s,3r)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-n-[(2s)-1-hydroxypropan-2-yl]benzenesulfonamide

Preferred term

3-chloro-n-[(2s,3r)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-n-[(2s)-1-hydroxypropan-2-yl]benzenesulfonamide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H30ClFN2O6S2

inchi

  • InChI=1S/C22H30ClFN2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-18(23)12-21)22(32-4)14-25(3)33(28,29)20-10-8-19(24)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17-,22-/m0/s1

inchikey

  • KNLROJRONDBMAV-HOIFWPIMSA-N

mass

  • 537.068

monoisotopicmass

  • 536.12178

smiles

  • C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:112963

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