931

?

Summary

Name:6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE
Formula:C24 H23 Cl F N3 O3 S
Formal charge:0
Molecular weight:487.974 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.16-chloro-N-[(3S)-1-[2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenyl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352Fc1cc(ccc1N2CC[C@H](N[S](=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)[C@H]5CCCN5
SMILESCACTVS3.352Fc1cc(ccc1N2CC[CH](N[S](=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)[CH]5CCCN5
SMILES_CANONICALOpenEye OEToolkits1.6.1c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc(cc4F)[C@H]5CCCN5
SMILESOpenEye OEToolkits1.6.1c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC3CCN(C3=O)c4ccc(cc4F)C5CCCN5
InChIInChI1.03InChI=1S/C24H23ClFN3O3S/c25-18-6-3-16-13-19(7-4-15(16)12-18)33(31,32)28-22-9-11-29(24(22)30)23-8-5-17(14-20(23)26)21-2-1-10-27-21/h3-8,12-14,21-22,27-28H,1-2,9-11H2/t21-,22+/m1/s1
InChIKeyInChI1.03OKMBULRSJZKGQF-YADHBBJMSA-N