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Substance Name: Pca 50941
RN: 136941-85-0
InChIKey: SOOCCEZHZUEQKC-UHFFFAOYSA-N

Note

  • A 1,4-dihydropyridine derivative containing a 1,2-benzisothiazole-3-one-1,1-dioxide group.

Molecular Formula

  • C30-H31-N3-O10-S

Molecular Weight

  • 625.6519
 
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Names and Synonyms

Name of Substance

  • Pca 50941

Synonym

  • Pca-50941

Systematic Names

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl (tetrahydro-2H-pyran-2-yl)methyl ester, S,S-dioxide
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl(tetrahydro-2H-pyran-2-yl)methyl ester, S,S-dioxide

Registry Numbers

CAS Registry Number

  • 136941-85-0

System Generated Number

  • 0136941850

Structure Descriptors

InChI

1S/C30H31N3O10S/c1-18-25(29(35)42-15-13-32-28(34)23-11-3-4-12-24(23)44(32,39)40)27(20-8-7-9-21(16-20)33(37)38)26(19(2)31-18)30(36)43-17-22-10-5-6-14-41-22/h3-4,7-9,11-12,16,22,27,31H,5-6,10,13-15,17H2,1-2H3

InChIKey

SOOCCEZHZUEQKC-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCC2CCCCO2)c3cccc(c3)[N+](=O)[O-])C(=O)OCCN4C(=O)c5ccccc5S4(=O)=O