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4O6

Summary
Name:(E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide
Synonyms:GTC000406
Formula:C19 H24 Cl N3 O5 S
Formal charge:0
Formula weight:441.929 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide
OpenEye OEToolkits1.9.2(E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyrrolidin-3-yl]ethenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1CCOCC1)C(N3C(=O)C(NS(=O)(=O)\C=C\c2ccc(Cl)cc2)CC3)C
InChIInChI1.03InChI=1S/C19H24ClN3O5S/c1-14(18(24)22-9-11-28-12-10-22)23-8-6-17(19(23)25)21-29(26,27)13-7-15-2-4-16(20)5-3-15/h2-5,7,13-14,17,21H,6,8-12H2,1H3/b13-7+/t14-,17-/m0/s1
InChIKeyInChI1.03DNCVZNVETAOAJO-PPYZAHLJSA-N
SMILES_CANONICALCACTVS3.385C[C@H](N1CC[C@H](N[S](=O)(=O)\C=C\c2ccc(Cl)cc2)C1=O)C(=O)N3CCOCC3
SMILESCACTVS3.385C[CH](N1CC[CH](N[S](=O)(=O)C=Cc2ccc(Cl)cc2)C1=O)C(=O)N3CCOCC3
SMILES_CANONICALOpenEye OEToolkits1.9.2C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(cc3)Cl
SMILESOpenEye OEToolkits1.9.2CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)C=Cc3ccc(cc3)Cl

218853

PDB entries from 2024-04-24

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