種別 | プログラム | バージョン | 表記 |
SMILES_CANONICAL | CACTVS | 3.352 | Nc1ccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)[S](O)(=O)=O)cc1 |
SMILES | CACTVS | 3.352 | Nc1ccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)[S](O)(=O)=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc2cc(cc3c2c(c1)C(=O)N(C3=O)Cc4ccc(cc4)N)S(=O)(=O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | c1cc2cc(cc3c2c(c1)C(=O)N(C3=O)Cc4ccc(cc4)N)S(=O)(=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H14N2O5S/c20-13-6-4-11(5-7-13)10-21-18(22)15-3-1-2-12-8-14(27(24,25)26)9-16(17(12)15)19(21)23/h1-9H,10,20H2,(H,24,25,26)/p-1 |
InChIKey | InChI | 1.03 | DTGCLOCEXRIHBE-UHFFFAOYSA-M |