| Properties | Image |
| MNX_ID | MNXM342103 |
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| reference | chebi:114787 |
| formula | C21H24N2O4S |
| global charge | 0 |
| mol weight | 400.5 |
| InChIKey | USKCGFQIFFACFN-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H24N2O4S/c24-13-12-22(15-16-4-2-1-3-5-16)28(26,27)19-8-9-20-18(14-19)10-11-23(20)21(25)17-6-7-17/h1-5,8-9,14,17,24H,6-7,10-13,15H2 |
| SMILES | O=C(C1CC1)N1CCC2=C1C=CC(S(=O)(=O)N(CCO)CC1=CC=CC=C1)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C21H24N2O4S/c24-13-12-22(15-16-4-2-1-3-5-16)28(26,27)19-8-9-20-18(14-19)10-11-23(20)21(25)17-6-7-17/h1-5,8-9,14,17,24H,6-7,10-13,15H2 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:16]([CH2:15][N:22]([CH2:12][CH2:13][OH:24])[S:28]([C:19]2=[CH:14][C:18]3=[C:20]([CH:9]=[CH:8]2)[N:23]([C:21]([CH:17]2[CH2:6][CH2:7]2)=[O:25])[CH2:11][CH2:10]3)(=[O:26])=[O:27])[CH:5]=[CH:3]1 |
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