KEGG   COMPOUND: C14412Help
Entry
C14412                      Compound                               

Name
4-Toluenesulfonamide
Formula
C7H9NO2S
Exact mass
171.0354
Mol weight
171.2169
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 70-55-3
PubChem: 17395412
ChEBI: 34435
ChEMBL: CHEMBL574
PDB-CCD: 4J8[PDBj]
NIKKAJI: J4.878J
KCF data Show

ATOM        11
            1   S4a S    28.8400  -19.1077
            2   C8y C    28.8400  -17.6815
            3   N1a N    28.8458  -20.5047
            4   O3c O    27.6593  -19.8267
            5   O3c O    30.0322  -19.8207
            6   C8x C    27.6535  -16.9685
            7   C8x C    30.0207  -16.9685
            8   C8x C    27.6535  -15.5425
            9   C8x C    30.0207  -15.5425
            10  C8y C    28.8400  -14.8294
            11  C1a C    28.8400  -13.4033
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 2
            5     2   6 1
            6     2   7 2
            7     6   8 2
            8     7   9 1
            9     8  10 1
            10   10  11 1
            11    9  10 2

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