| Properties | Image |
|---|
| MNX_ID | MNXM530143 |
 |
| reference | chebi:128332 |
| formula | C25H32N2O4S |
| global charge | 0 |
| mol weight | 456.608 |
| InChIKey | YCMWBXHYJYTYML-DSITVLBTSA-N |
| InChI | InChI=1S/C25H32N2O4S/c1-3-6-19-7-9-20(10-8-19)25-23-17-26(15-4-5-16-27(23)24(25)18-28)32(29,30)22-13-11-21(31-2)12-14-22/h3,6-14,23-25,28H,4-5,15-18H2,1-2H3/t23-,24+,25+/m1/s1 |
| SMILES | CC=CC1=CC=C([C@H]2[C@H]3CN(S(=O)(=O)C4=CC=C(OC)C=C4)CCCCN3[C@H]2CO)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H32N2O4S/c1-3-6-19-7-9-20(10-8-19)25-23-17-26(15-4-5-16-27(23)24(25)18-28)32(29,30)22-13-11-21(31-2)12-14-22/h3,6-14,23-25,28H,4-5,15-18H2,1-2H3/b6-3?/t23-,24+,25+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:3]=[CH:6][C:19]1=[CH:8][CH:10]=[C:20]([C@H:25]2[C@H:23]3[CH2:17][N:26]([S:32]([C:22]4=[CH:14][CH:12]=[C:21]([O:31][CH3:2])[CH:11]=[CH:13]4)(=[O:29])=[O:30])[CH2:15][CH2:4][CH2:5][CH2:16][N:27]3[C@H:24]2[CH2:18][OH:28])[CH:9]=[CH:7]1 |
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