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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 > 2-[(2s,3s,6s)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2h-pyran-6-yl]-n-[2-(1-piperidinyl)ethyl]acetamide
... > 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 > 2-[(2s,3s,6s)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2h-pyran-6-yl]-n-[2-(1-piperidinyl)ethyl]acetamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 2-[(2s,3s,6s)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2h-pyran-6-yl]-n-[2-(1-piperidinyl)ethyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > 2-[(2s,3s,6s)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2h-pyran-6-yl]-n-[2-(1-piperidinyl)ethyl]acetamide

Preferred term

2-[(2s,3s,6s)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2h-pyran-6-yl]-n-[2-(1-piperidinyl)ethyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H33N3O5S

inchi

  • InChI=1S/C22H33N3O5S/c1-17-5-8-19(9-6-17)31(28,29)24-20-10-7-18(30-21(20)16-26)15-22(27)23-11-14-25-12-3-2-4-13-25/h5-10,18,20-21,24,26H,2-4,11-16H2,1H3,(H,23,27)/t18-,20+,21-/m1/s1

inchikey

  • VUOOERVJSWLFKU-HLAWJBBLSA-N

mass

  • 451.581

monoisotopicmass

  • 451.21409

smiles

  • CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCCN3CCCCC3

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:98769

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