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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 > n1-butan-2-yl-n4-[2-(3,4-dimethoxyphenyl)ethyl]-n4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > n1-butan-2-yl-n4-[2-(3,4-dimethoxyphenyl)ethyl]-n4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > n1-butan-2-yl-n4-[2-(3,4-dimethoxyphenyl)ethyl]-n4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide

Preferred term

n1-butan-2-yl-n4-[2-(3,4-dimethoxyphenyl)ethyl]-n4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide  

Type

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

Broader concept

charge

  • 0

formula

  • C25H32N2O6S3

inchi

  • InChI=1S/C25H32N2O6S3/c1-5-19(2)26-35(28,29)22-9-11-23(12-10-22)36(30,31)27(18-21-7-6-16-34-21)15-14-20-8-13-24(32-3)25(17-20)33-4/h6-13,16-17,19,26H,5,14-15,18H2,1-4H3

inchikey

  • STGROPKKZNMECS-UHFFFAOYSA-N

mass

  • 552.731

monoisotopicmass

  • 552.14225

smiles

  • CCC(C)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC3=CC=CS3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114234

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