種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(c1c(onc1C)C)NC(c3ccc(c2c(onc2C)C)cc3)C |
InChI | InChI | 1.03 | InChI=1S/C18H21N3O4S/c1-10(21-26(22,23)18-12(3)20-25-14(18)5)15-6-8-16(9-7-15)17-11(2)19-24-13(17)4/h6-10,21H,1-5H3/t10-/m1/s1 |
InChIKey | InChI | 1.03 | QXPXDFCURRGQGI-SNVBAGLBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N[S](=O)(=O)c1c(C)onc1C)c2ccc(cc2)c3c(C)onc3C |
SMILES | CACTVS | 3.385 | C[CH](N[S](=O)(=O)c1c(C)onc1C)c2ccc(cc2)c3c(C)onc3C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c(on1)C)c2ccc(cc2)[C@@H](C)NS(=O)(=O)c3c(noc3C)C |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c(on1)C)c2ccc(cc2)C(C)NS(=O)(=O)c3c(noc3C)C |