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

Preferred term

n-[(2s,3r)-4-[(4-fluorophenyl)sulfonyl-[(2r)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-n-methyl-2-pyrazinecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C21H29FN4O5S

inchi

  • InChI=1S/C21H29FN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16-,20-/m1/s1

inchikey

  • DJBLUNZOFTWTAE-JXXFODFXSA-N

mass

  • 468.544

monoisotopicmass

  • 468.18427

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99862

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