| Properties | Image |
|---|
| MNX_ID | MNXM162077 |
 |
| reference | keggD:D09989 |
| formula | C23H33ClN6O4S |
| global charge | 0 |
| mol weight | 525.075 |
| InChIKey | XCMULUAPJXCOHI-UHFFFAOYSA-N |
| InChI | InChI=1S/C23H32N6O4S.ClH/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28;/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30);1H |
| SMILES | CCCC1=NC(C)=C2C(=O)N=C(C3=C(OCC)C=CC(S(=O)(=O)N4CCN(CC)CC4)=C3)NN12.Cl |
MNX internals
| InChI (mnx) | InChI=1/C23H32N6O4S.ClH/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28;/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30);1H |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:8][C:20]1=[N:24][C:16]([CH3:4])=[C:21]2[C:23](=[O:30])[N:25]=[C:22]([C:18]3=[C:19]([O:33][CH2:7][CH3:3])[CH:10]=[CH:9][C:17]([S:34]([N:28]4[CH2:13][CH2:11][N:27]([CH2:6][CH3:2])[CH2:12][CH2:14]4)(=[O:31])=[O:32])=[CH:15]3)[NH:26][N:29]12.[ClH:35] |
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