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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-[(2r,3r)-4-[[(2r)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-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-[(2r,3r)-4-[[(2r)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-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-[(2r,3r)-4-[[(2r)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-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-[(2r,3r)-4-[[(2r)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-n-methyl-2-pyrazinecarboxamide

Preferred term

n-[(2r,3r)-4-[[(2r)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-n-methyl-2-pyrazinecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H32N4O5S

inchi

  • InChI=1S/C22H32N4O5S/c1-16-6-8-19(9-7-16)32(29,30)26(18(3)15-27)13-17(2)21(31-5)14-25(4)22(28)20-12-23-10-11-24-20/h6-12,17-18,21,27H,13-15H2,1-5H3/t17-,18-,21+/m1/s1

inchikey

  • SBBAPVWHPDIFCH-OPYAIIAOSA-N

mass

  • 464.580

monoisotopicmass

  • 464.20934

smiles

  • CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99963

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