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Chemistry, part 1

Content language

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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 > 4-chloro-n-[(2s,3s)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-n-[(2r)-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 > 4-chloro-n-[(2s,3s)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-n-[(2r)-1-hydroxypropan-2-yl]benzenesulfonamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 4-chloro-n-[(2s,3s)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-n-[(2r)-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 > 4-chloro-n-[(2s,3s)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-n-[(2r)-1-hydroxypropan-2-yl]benzenesulfonamide

Preferred term

4-chloro-n-[(2s,3s)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-n-[(2r)-1-hydroxypropan-2-yl]benzenesulfonamide  

Type

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

Broader concept

charge

  • 0

formula

  • C23H31ClF2N2O4S

inchi

  • InChI=1S/C23H31ClF2N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17+,23+/m0/s1

inchikey

  • UIWWHFNWICLZIF-YGKZAACZSA-N

mass

  • 505.020

monoisotopicmass

  • 504.16611

smiles

  • C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:98931

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