| PDB CCD ID: | BEX |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H19 N3 O5 S |
| InChI: | InChI=1S/C15H19N3O5S/c1-21-13-9-8-11(10-14(13)22-2)17-15(18-24(16,19)20)23-12-6-4-3-5-7-12/h3-10,15,17-18H,1-2H3,(H2,16,19,20)/t15-/m1/s1 |
| InChIKey: | YJTSCHAMOBJRMX-OAHLLOKOSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | COc1ccc(N[CH](N[S](N)(=O)=O)Oc2ccccc2)cc1OC | | OpenEye OEToolkits 1.7.0 | COc1ccc(cc1OC)NC(NS(=O)(=O)N)Oc2ccccc2 | | ACDLabs 12.01 | O=S(=O)(N)NC(Oc1ccccc1)Nc2cc(OC)c(OC)cc2 | | OpenEye OEToolkits 1.7.0 | COc1ccc(cc1OC)N[C@H](NS(=O)(=O)N)Oc2ccccc2 | | CACTVS 3.370 | COc1ccc(N[C@H](N[S](N)(=O)=O)Oc2ccccc2)cc1OC |
|
| Name: | N-[(R)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfamide |
| ZINC: | ZINC000066166091 |
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