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GS6

Summary
Name:6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE
Formula:C19 H22 Cl N3 O5 S2
Formal charge:0
Formula weight:471.978 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide
OpenEye OEToolkits1.5.06-chloro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-propan-2-yl]-2-oxo-pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3sc2cc(Cl)ccc2c3)CC4)C
SMILES_CANONICALCACTVS3.341C[C@H](N1CC[C@H](N[S](=O)(=O)c2sc3cc(Cl)ccc3c2)C1=O)C(=O)N4CCOCC4
SMILESCACTVS3.341C[CH](N1CC[CH](N[S](=O)(=O)c2sc3cc(Cl)ccc3c2)C1=O)C(=O)N4CCOCC4
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4ccc(cc4s3)Cl
SMILESOpenEye OEToolkits1.5.0CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3cc4ccc(cc4s3)Cl
InChIInChI1.03InChI=1S/C19H22ClN3O5S2/c1-12(18(24)22-6-8-28-9-7-22)23-5-4-15(19(23)25)21-30(26,27)17-10-13-2-3-14(20)11-16(13)29-17/h2-3,10-12,15,21H,4-9H2,1H3/t12-,15-/m0/s1
InChIKeyInChI1.03PHLKBODTBJLXRD-WFASDCNBSA-N

218853

PDB entries from 2024-04-24

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