96A

?

Summary

Name:N-{[4-bromo-6-(carbamoylamino)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
Formula:C15 H18 Br N5 O5 S2
Formal charge:0
Molecular weight:492.368 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{[4-bromo-6-(carbamoylamino)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
OpenEye OEToolkits2.0.61-[6-(aminocarbonylamino)-4-bromanyl-pyridin-2-yl]-3-[5-(2-methoxyethyl)-4-methyl-thiophen-2-yl]sulfonyl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(C(=O)Nc1cc(cc(n1)NC(N)=O)Br)S(c2cc(c(CCOC)s2)C)(=O)=O
InChIInChI1.03InChI=1S/C15H18BrN5O5S2/c1-8-5-13(27-10(8)3-4-26-2)28(24,25)21-15(23)20-12-7-9(16)6-11(18-12)19-14(17)22/h5-7H,3-4H2,1-2H3,(H5,17,18,19,20,21,22,23)
InChIKeyInChI1.03LBQKZXCDZYAHAH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COCCc1sc(cc1C)[S](=O)(=O)NC(=O)Nc2cc(Br)cc(NC(N)=O)n2
SMILESCACTVS3.385COCCc1sc(cc1C)[S](=O)(=O)NC(=O)Nc2cc(Br)cc(NC(N)=O)n2
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)N)Br
SMILESOpenEye OEToolkits2.0.6Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)N)Br
PDBj@FacebookPDBj@TwitterwwPDBwwPDB Foundation

Copyright © 2013-2019 Protein Data Bank Japan