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MTS

Summary
Name:(4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
Formula:C9 H14 N2 O4 S3
Formal charge:0
Formula weight:310.413 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(4S,6S)-6-methyl-4-(methylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
OpenEye OEToolkits1.5.0(4S,6S)-6-methyl-4-methylamino-7,7-dioxo-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1sc2c(c1)C(NC)CC(C)S2(=O)=O)N
SMILES_CANONICALCACTVS3.341CN[C@H]1C[C@H](C)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O
SMILESCACTVS3.341CN[CH]1C[CH](C)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)NC
SMILESOpenEye OEToolkits1.5.0CC1CC(c2cc(sc2S1(=O)=O)S(=O)(=O)N)NC
InChIInChI1.03InChI=1S/C9H14N2O4S3/c1-5-3-7(11-2)6-4-8(18(10,14)15)16-9(6)17(5,12)13/h4-5,7,11H,3H2,1-2H3,(H2,10,14,15)/t5-,7-/m0/s1
InChIKeyInChI1.03PYXFWOIZPYXNRU-FSPLSTOPSA-N

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PDB entries from 2024-09-11

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