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P7D

Summary
Name:Resminostat
Synonyms:(2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide
Formula:C16 H19 N3 O4 S
Formal charge:0
Formula weight:349.405 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide
OpenEye OEToolkits2.0.7(~{E})-3-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpyrrol-3-yl]-~{N}-oxidanyl-prop-2-enamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(ccc1CN(C)C)S(n2ccc(\C=C\C(=O)NO)c2)(=O)=O
InChIInChI1.03InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+
InChIKeyInChI1.03FECGNJPYVFEKOD-VMPITWQZSA-N
SMILES_CANONICALCACTVS3.385CN(C)Cc1ccc(cc1)[S](=O)(=O)n2ccc(\C=C\C(=O)NO)c2
SMILESCACTVS3.385CN(C)Cc1ccc(cc1)[S](=O)(=O)n2ccc(C=CC(=O)NO)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)/C=C/C(=O)NO
SMILESOpenEye OEToolkits2.0.7CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)C=CC(=O)NO

218853

PDB entries from 2024-04-24

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