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UO2

Summary
Name:(2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide
Formula:C18 H21 N5 O3 S
Formal charge:0
Formula weight:387.456 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H21N5O3S/c1-11(19)18(24)20-13-7-8-16-15(10-13)17(22-21-16)12-5-4-6-14(9-12)27(25,26)23(2)3/h4-11H,19H2,1-3H3,(H,20,24)(H,21,22)/t11-/m0/s1
InChIKeyInChI1.03HKVYLIVZRUYPKC-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385C[C@H](N)C(=O)Nc1ccc2n[nH]c(c3cccc(c3)[S](=O)(=O)N(C)C)c2c1
SMILESCACTVS3.385C[CH](N)C(=O)Nc1ccc2n[nH]c(c3cccc(c3)[S](=O)(=O)N(C)C)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@@H](C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N
SMILESOpenEye OEToolkits2.0.7CC(C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N

222415

건을2024-07-10부터공개중

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