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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 > 3-(2-fluorophenyl)-1-[(2r)-1-hydroxypropan-2-yl]-1-[(2r,3r)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea
... > 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 > 3-(2-fluorophenyl)-1-[(2r)-1-hydroxypropan-2-yl]-1-[(2r,3r)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 3-(2-fluorophenyl)-1-[(2r)-1-hydroxypropan-2-yl]-1-[(2r,3r)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > 3-(2-fluorophenyl)-1-[(2r)-1-hydroxypropan-2-yl]-1-[(2r,3r)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea

Preferred term

3-(2-fluorophenyl)-1-[(2r)-1-hydroxypropan-2-yl]-1-[(2r,3r)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea  

Type

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

Broader concept

charge

  • 0

formula

  • C24H34FN3O5S

inchi

  • InChI=1S/C24H34FN3O5S/c1-17-10-12-20(13-11-17)34(31,32)27(4)15-23(33-5)18(2)14-28(19(3)16-29)24(30)26-22-9-7-6-8-21(22)25/h6-13,18-19,23,29H,14-16H2,1-5H3,(H,26,30)/t18-,19-,23+/m1/s1

inchikey

  • IMMALVOVYMCCKV-PWHSHALESA-N

mass

  • 495.609

monoisotopicmass

  • 495.22032

smiles

  • CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@H](C)CN([C@H](C)CO)C(=O)NC2=CC=CC=C2F)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:97227

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