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MZA

Summary
Name:6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE
Formula:C23 H21 Cl F N3 O3 S
Formal charge:0
Formula weight:473.948 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.16-chloro-N-[(3S)-1-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352Fc1c2CCNCc2ccc1N3CC[C@H](N[S](=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O
SMILESCACTVS3.352Fc1c2CCNCc2ccc1N3CC[CH](N[S](=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O
SMILES_CANONICALOpenEye OEToolkits1.6.1c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc5c(c4F)CCNC5
SMILESOpenEye OEToolkits1.6.1c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC3CCN(C3=O)c4ccc5c(c4F)CCNC5
InChIInChI1.03InChI=1S/C23H21ClFN3O3S/c24-17-4-1-15-12-18(5-2-14(15)11-17)32(30,31)27-20-8-10-28(23(20)29)21-6-3-16-13-26-9-7-19(16)22(21)25/h1-6,11-12,20,26-27H,7-10,13H2/t20-/m0/s1
InChIKeyInChI1.03BJOZEZZETKKCMQ-FQEVSTJZSA-N

218853

PDB entries from 2024-04-24

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