種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c2ccc(C(=O)NCCc1ccc(OC)c(OC)c1)cc2 |
InChI | InChI | 1.03 | InChI=1S/C17H20N2O5S/c1-23-15-8-3-12(11-16(15)24-2)9-10-19-17(20)13-4-6-14(7-5-13)25(18,21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20)(H2,18,21,22) |
InChIKey | InChI | 1.03 | ZVVZHSQXKXOTQG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(CCNC(=O)c2ccc(cc2)[S](N)(=O)=O)cc1OC |
SMILES | CACTVS | 3.370 | COc1ccc(CCNC(=O)c2ccc(cc2)[S](N)(=O)=O)cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1OC)CCNC(=O)c2ccc(cc2)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1OC)CCNC(=O)c2ccc(cc2)S(=O)(=O)N |