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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-[benzenesulfonyl-[(2s)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-n-methylpyrazine-2-carboxamide
... > 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-[benzenesulfonyl-[(2s)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-n-methylpyrazine-2-carboxamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > n-[(2r,3r)-4-[benzenesulfonyl-[(2s)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-n-methylpyrazine-2-carboxamide
... > 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-[benzenesulfonyl-[(2s)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-n-methylpyrazine-2-carboxamide

Preferred term

n-[(2r,3r)-4-[benzenesulfonyl-[(2s)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-n-methylpyrazine-2-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C21H30N4O5S

inchi

  • InChI=1S/C21H30N4O5S/c1-16(20(30-4)14-24(3)21(27)19-12-22-10-11-23-19)13-25(17(2)15-26)31(28,29)18-8-6-5-7-9-18/h5-12,16-17,20,26H,13-15H2,1-4H3/t16-,17+,20+/m1/s1

inchikey

  • RULZJLKRRRCHIA-UWVAXJGDSA-N

mass

  • 450.554

monoisotopicmass

  • 450.19369

smiles

  • C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[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:97759

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