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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H17NO2S
Molecular Weight 239.334
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU 180222

SMILES

CS(=O)(=O)C1=CC=CC(=C1)[C@@H]2CCCNC2

InChI

InChIKey=KMVLMAUQHRUFDO-LLVKDONJSA-N
InChI=1S/C12H17NO2S/c1-16(14,15)12-6-2-4-10(8-12)11-5-3-7-13-9-11/h2,4,6,8,11,13H,3,5,7,9H2,1H3/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H17NO2S
Molecular Weight 239.334
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
WA0BU02HD7
Record Status Validated (UNII)
Record Version