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5H

Summary
Name:5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
Formula:C16 H13 Br N2 O3 S3
Formal charge:0
Formula weight:457.385 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(5R)-5-(4-bromobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzenesulfonamide
OpenEye OEToolkits1.5.0N-[(5R)-5-[(4-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(NN1C(=O)C(SC1=S)Cc2ccc(Br)cc2)c3ccccc3
SMILES_CANONICALCACTVS3.341Brc1ccc(C[C@H]2SC(=S)N(N[S](=O)(=O)c3ccccc3)C2=O)cc1
SMILESCACTVS3.341Brc1ccc(C[CH]2SC(=S)N(N[S](=O)(=O)c3ccccc3)C2=O)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(cc3)Br
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)S(=O)(=O)NN2C(=O)C(SC2=S)Cc3ccc(cc3)Br
InChIInChI1.03InChI=1S/C16H13BrN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-9,14,18H,10H2/t14-/m1/s1
InChIKeyInChI1.03ZUOVUVKEEZXELB-CQSZACIVSA-N

218853

PDB entries from 2024-04-24

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