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GSX

Summary
Name:5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE
Formula:C19 H22 Cl N3 O5 S3
Formal charge:0
Formula weight:504.043 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045'-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-2,2'-bithiophene-5-sulfonamide
OpenEye OEToolkits1.5.05-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-propan-2-yl]-2-oxo-pyrrolidin-3-yl]thiophene-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc4sc(c1sc(cc1)S(=O)(=O)NC3C(=O)N(C(C(=O)N2CCOCC2)C)CC3)cc4
SMILES_CANONICALCACTVS3.341C[C@H](N1CC[C@H](N[S](=O)(=O)c2sc(cc2)c3sc(Cl)cc3)C1=O)C(=O)N4CCOCC4
SMILESCACTVS3.341C[CH](N1CC[CH](N[S](=O)(=O)c2sc(cc2)c3sc(Cl)cc3)C1=O)C(=O)N4CCOCC4
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc(s3)c4ccc(s4)Cl
SMILESOpenEye OEToolkits1.5.0CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3ccc(s3)c4ccc(s4)Cl
InChIInChI1.03InChI=1S/C19H22ClN3O5S3/c1-12(18(24)22-8-10-28-11-9-22)23-7-6-13(19(23)25)21-31(26,27)17-5-3-15(30-17)14-2-4-16(20)29-14/h2-5,12-13,21H,6-11H2,1H3/t12-,13-/m0/s1
InChIKeyInChI1.03NAHOZYBRUMVDSR-STQMWFEESA-N

218853

PDB entries from 2024-04-24

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