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XG8

Summary
Name:N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide
Formula:C13 H14 N2 O3 S3
Formal charge:0
Formula weight:342.457 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide
OpenEye OEToolkits2.0.7(2~{R})-2-azanyl-3-sulfanyl-~{N}-(3-thiophen-2-ylphenyl)sulfonyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01SCC(N)C(=O)NS(=O)(=O)c1cccc(c1)c1cccs1
InChIInChI1.06InChI=1S/C13H14N2O3S3/c14-11(8-19)13(16)15-21(17,18)10-4-1-3-9(7-10)12-5-2-6-20-12/h1-7,11,19H,8,14H2,(H,15,16)/t11-/m0/s1
InChIKeyInChI1.06SSWPXZNBBMHIKF-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385N[C@@H](CS)C(=O)N[S](=O)(=O)c1cccc(c1)c2sccc2
SMILESCACTVS3.385N[CH](CS)C(=O)N[S](=O)(=O)c1cccc(c1)c2sccc2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)S(=O)(=O)NC(=O)[C@H](CS)N)c2cccs2
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)S(=O)(=O)NC(=O)C(CS)N)c2cccs2

219869

PDB entries from 2024-05-15

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