種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1cc(ccc1NC)c3ccc(c(N2S(NC(=O)C2)(=O)=O)c3)C |
InChI | InChI | 1.03 | InChI=1S/C16H17N3O3S/c1-11-3-4-13(12-5-7-14(17-2)8-6-12)9-15(11)19-10-16(20)18-23(19,21)22/h3-9,17H,10H2,1-2H3,(H,18,20) |
InChIKey | InChI | 1.03 | UALKFLWWOUIKBS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNc1ccc(cc1)c2ccc(C)c(c2)N3CC(=O)N[S]3(=O)=O |
SMILES | CACTVS | 3.385 | CNc1ccc(cc1)c2ccc(C)c(c2)N3CC(=O)N[S]3(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccc(cc3)NC |
SMILES | OpenEye OEToolkits | 2.0.5 | Cc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccc(cc3)NC |