| Properties | Image |
|---|
| MNX_ID | MNXM152239 |
 |
| reference | chebi:31208 |
| formula | C18H25ClN2O5S |
| global charge | 0 |
| mol weight | 416.927 |
| InChIKey | JRVCPDVOFCWKAG-UHFFFAOYSA-N |
| InChI | InChI=1S/C18H24N2O5S.ClH/c1-13-7-8-14(11-18(13)26(19,22)23)15(21)12-20-9-10-25-17-6-4-3-5-16(17)24-2;/h3-8,11,15,20-21H,9-10,12H2,1-2H3,(H2,19,22,23);1H |
| SMILES | COC1=C(OCCNCC(O)C2=CC=C(C)C(S(N)(=O)=O)=C2)C=CC=C1.Cl |
MNX internals
| InChI (mnx) | InChI=1/C18H24N2O5S.ClH/c1-13-7-8-14(11-18(13)26(19,22)23)15(21)12-20-9-10-25-17-6-4-3-5-16(17)24-2;/h3-8,11,15,20-21H,9-10,12H2,1-2H3,(H2,19,22,23);1H/t15?; |
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| SMILES (mnx) | [CH3:1][C:13]1=[C:18]([S:26]([NH2:19])(=[O:22])=[O:23])[CH:11]=[C:14]([CH:15]([CH2:12][NH:20][CH2:9][CH2:10][O:25][C:17]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:16]2[O:24][CH3:2])[OH:21])[CH:8]=[CH:7]1.[ClH:27] |
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