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GSV

Summary
Name:2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide
Formula:C23 H22 Cl F N2 O5 S3
Formal charge:0
Formula weight:557.078 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide
OpenEye OEToolkits1.5.02-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-pyrrolidin-3-yl]ethanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1sc(cc1)CCS(=O)(=O)NC4C(=O)N(c3ccc(c2ccccc2S(=O)(=O)C)cc3F)CC4
SMILES_CANONICALCACTVS3.341C[S](=O)(=O)c1ccccc1c2ccc(N3CC[C@H](N[S](=O)(=O)CCc4sc(Cl)cc4)C3=O)c(F)c2
SMILESCACTVS3.341C[S](=O)(=O)c1ccccc1c2ccc(N3CC[CH](N[S](=O)(=O)CCc4sc(Cl)cc4)C3=O)c(F)c2
SMILES_CANONICALOpenEye OEToolkits1.5.0CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)(=O)CCc4ccc(s4)Cl
SMILESOpenEye OEToolkits1.5.0CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)N3CCC(C3=O)NS(=O)(=O)CCc4ccc(s4)Cl
InChIInChI1.03InChI=1S/C23H22ClFN2O5S3/c1-34(29,30)21-5-3-2-4-17(21)15-6-8-20(18(25)14-15)27-12-10-19(23(27)28)26-35(31,32)13-11-16-7-9-22(24)33-16/h2-9,14,19,26H,10-13H2,1H3/t19-/m0/s1
InChIKeyInChI1.03MRKBPFVJGAHTFU-IBGZPJMESA-N

218853

PDB entries from 2024-04-24

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