種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=S(=O)(N)c3ccc(c2c(onc2c1ccccc1)C)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1onc(c2ccccc2)c1c3ccc(cc3)[S](N)(=O)=O |
SMILES | CACTVS | 3.341 | Cc1onc(c2ccccc2)c1c3ccc(cc3)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) |
InChIKey | InChI | 1.03 | LNPDTQAFDNKSHK-UHFFFAOYSA-N |