| Properties | Image |
| MNX_ID | MNXM341036 |
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| reference | chebi:107876 |
| formula | C20H20N4O5S |
| global charge | 0 |
| mol weight | 428.47 |
| InChIKey | RYJDOSORDXMJJC-UHFFFAOYSA-N |
| InChI | InChI=1S/C20H20N4O5S/c25-19(14-28-17-8-6-16(7-9-17)20-22-21-15-29-20)23-10-12-24(13-11-23)30(26,27)18-4-2-1-3-5-18/h1-9,15H,10-14H2 |
| SMILES | O=C(COC1=CC=C(C2=NN=CO2)C=C1)N1CCN(S(=O)(=O)C2=CC=CC=C2)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C20H20N4O5S/c25-19(14-28-17-8-6-16(7-9-17)20-22-21-15-29-20)23-10-12-24(13-11-23)30(26,27)18-4-2-1-3-5-18/h1-9,15H,10-14H2 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:18]([S:30]([N:24]2[CH2:12][CH2:10][N:23]([C:19]([CH2:14][O:28][C:17]3=[CH:9][CH:7]=[C:16]([C:20]4=[N:22][N:21]=[CH:15][O:29]4)[CH:6]=[CH:8]3)=[O:25])[CH2:11][CH2:13]2)(=[O:26])=[O:27])[CH:5]=[CH:3]1 |
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