CM6

?

Summary

Name:(2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE
Formula:C19 H15 N5 O3 S2
Formal charge:0
Molecular weight:425.484 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-phenyl-N-pyridin-4-ylethanamide
OpenEye OEToolkits1.5.0(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-N-pyridin-4-yl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(Nc1ccncc1)C(c2ccccc2)NS(=O)(=O)c3cccc4nsnc34
SMILES_CANONICALCACTVS3.341O=C(Nc1ccncc1)[C@@H](N[S](=O)(=O)c2cccc3nsnc23)c4ccccc4
SMILESCACTVS3.341O=C(Nc1ccncc1)[CH](N[S](=O)(=O)c2cccc3nsnc23)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)[C@@H](C(=O)Nc2ccncc2)NS(=O)(=O)c3cccc4c3nsn4
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)C(C(=O)Nc2ccncc2)NS(=O)(=O)c3cccc4c3nsn4
InChIInChI1.03InChI=1S/C19H15N5O3S2/c25-19(21-14-9-11-20-12-10-14)17(13-5-2-1-3-6-13)24-29(26,27)16-8-4-7-15-18(16)23-28-22-15/h1-12,17,24H,(H,20,21,25)/t17-/m0/s1
InChIKeyInChI1.03ADRNPUSZBRQDBG-KRWDZBQOSA-N
167132
PDB entries from 2020-07-29