種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | SCC(N)C(=O)NS(=O)(=O)c1cccc(c1)c1cccs1 |
InChI | InChI | 1.06 | InChI=1S/C13H14N2O3S3/c14-11(8-19)13(16)15-21(17,18)10-4-1-3-9(7-10)12-5-2-6-20-12/h1-7,11,19H,8,14H2,(H,15,16)/t11-/m0/s1 |
InChIKey | InChI | 1.06 | SSWPXZNBBMHIKF-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CS)C(=O)N[S](=O)(=O)c1cccc(c1)c2sccc2 |
SMILES | CACTVS | 3.385 | N[CH](CS)C(=O)N[S](=O)(=O)c1cccc(c1)c2sccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)NC(=O)[C@H](CS)N)c2cccs2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)NC(=O)C(CS)N)c2cccs2 |