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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,3s)-4-[[(2s)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-n-methyl-1,3-benzodioxole-5-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-[(2s,3s)-4-[[(2s)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-n-methyl-1,3-benzodioxole-5-carboxamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > n-[(2s,3s)-4-[[(2s)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-n-methyl-1,3-benzodioxole-5-carboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > n-[(2s,3s)-4-[[(2s)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-n-methyl-1,3-benzodioxole-5-carboxamide

Preferred term

n-[(2s,3s)-4-[[(2s)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-n-methyl-1,3-benzodioxole-5-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C25H34N2O7S

inchi

  • InChI=1S/C25H34N2O7S/c1-17-6-9-21(10-7-17)35(30,31)27(19(3)15-28)13-18(2)24(32-5)14-26(4)25(29)20-8-11-22-23(12-20)34-16-33-22/h6-12,18-19,24,28H,13-16H2,1-5H3/t18-,19-,24+/m0/s1

inchikey

  • XFQUVXMASIHRAZ-AXHZCLLHSA-N

mass

  • 506.614

monoisotopicmass

  • 506.20867

smiles

  • CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:100976

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