T1L

4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide

Created:2022-12-20
Last modified:  2024-01-10

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Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count0
Bond Count57
Aromatic Bond Count22
2D diagram of T1L

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Chemical Component Summary

Name4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide
Systematic Name (OpenEye OEToolkits)4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide
FormulaC24 H20 Cl N3 O4 S
Molecular Weight481.951
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cc1c2[nH]ccc2c(cc1C(=O)N[S](=O)(=O)C3CC3)c4ccc(Cl)c(Oc5ccccn5)c4
SMILESOpenEye OEToolkits2.0.7Cc1c(cc(c2c1[nH]cc2)c3ccc(c(c3)Oc4ccccn4)Cl)C(=O)NS(=O)(=O)C5CC5
Canonical SMILESCACTVS3.385 Cc1c2[nH]ccc2c(cc1C(=O)N[S](=O)(=O)C3CC3)c4ccc(Cl)c(Oc5ccccn5)c4
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1c(cc(c2c1[nH]cc2)c3ccc(c(c3)Oc4ccccn4)Cl)C(=O)NS(=O)(=O)C5CC5
InChIInChI1.06 InChI=1S/C24H20ClN3O4S/c1-14-18(24(29)28-33(30,31)16-6-7-16)13-19(17-9-11-27-23(14)17)15-5-8-20(25)21(12-15)32-22-4-2-3-10-26-22/h2-5,8-13,16,27H,6-7H2,1H3,(H,28,29)
InChIKeyInChI1.06 AORICYPGAMGKBS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 169501682