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Chemistry, part 1

Content language

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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-[(4-fluorophenyl)sulfonyl-[(2r)-1-hydroxypropan-2-yl]amino]-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-[(4-fluorophenyl)sulfonyl-[(2r)-1-hydroxypropan-2-yl]amino]-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-[(4-fluorophenyl)sulfonyl-[(2r)-1-hydroxypropan-2-yl]amino]-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-[(4-fluorophenyl)sulfonyl-[(2r)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-n-methyl-1,3-benzodioxole-5-carboxamide

Preferred term

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

  • C24H31FN2O7S

inchi

  • InChI=1S/C24H31FN2O7S/c1-16(12-27(17(2)14-28)35(30,31)20-8-6-19(25)7-9-20)23(32-4)13-26(3)24(29)18-5-10-21-22(11-18)34-15-33-21/h5-11,16-17,23,28H,12-15H2,1-4H3/t16-,17+,23+/m0/s1

inchikey

  • QPCRGZWITIZHEP-YGKZAACZSA-N

mass

  • 510.578

monoisotopicmass

  • 510.18360

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=CC3=C(C=C2)OCO3)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99344

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