| Properties | Image |
|---|
| MNX_ID | MNXM155687 |
 |
| reference | keggD:D10420 |
| formula | C24H25Cl2FN4O7S2 |
| global charge | 0 |
| mol weight | 635.523 |
| InChIKey | CJAUWWGOABMMJX-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H17Cl2FN4O4S.C7H8O3S/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,21,25H,6-9H2,(H2,22,23,26);2-5H,1H3,(H,8,9,10) |
| SMILES | CC1=CC=C(S(=O)(=O)O)C=C1.O=C(NC1=C(O)C(S(=O)(=O)N2CCNCC2)=C(Cl)C=C1)NC1=C(Cl)C(F)=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C17H17Cl2FN4O4S.C7H8O3S/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,21,25H,6-9H2,(H2,22,23,26);2-5H,1H3,(H,8,9,10) |
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| SMILES (mnx) | [CH3:30][C:35]1=[CH:32][CH:34]=[C:36]([S:40]([OH:37])(=[O:38])=[O:39])[CH:33]=[CH:31]1.[CH:1]1=[CH:2][C:11]([F:20])=[C:14]([Cl:19])[C:12]([N:22]=[C:17]([NH:23][C:13]2=[C:15]([OH:25])[C:16]([S:29]([N:24]3[CH2:8][CH2:6][NH:21][CH2:7][CH2:9]3)(=[O:27])=[O:28])=[C:10]([Cl:18])[CH:4]=[CH:5]2)[OH:26])=[CH:3]1 |
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