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KL6

Summary
Name:1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide
Formula:C12 H19 N3 O4 S2
Formal charge:0
Formula weight:333.427 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide
OpenEye OEToolkits2.0.71-[2-(methylsulfonylamino)ethyl]-3,4-dihydro-2~{H}-quinoline-7-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NS(=O)(=O)c1ccc2CCCN(CCNS(C)(=O)=O)c2c1
InChIInChI1.06InChI=1S/C12H19N3O4S2/c1-20(16,17)14-6-8-15-7-2-3-10-4-5-11(9-12(10)15)21(13,18)19/h4-5,9,14H,2-3,6-8H2,1H3,(H2,13,18,19)
InChIKeyInChI1.06QNNCYWWAACHETJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)NCCN1CCCc2ccc(cc12)[S](N)(=O)=O
SMILESCACTVS3.385C[S](=O)(=O)NCCN1CCCc2ccc(cc12)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CS(=O)(=O)NCCN1CCCc2c1cc(cc2)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)NCCN1CCCc2c1cc(cc2)S(=O)(=O)N

218853

PDB entries from 2024-04-24

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