Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(NS(=O)(=O)c2ccc1c3ccccc3sc1c2)C(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@H](N[S](=O)(=O)c1ccc2c(sc3ccccc23)c1)C(O)=O |
SMILES | CACTVS | 3.341 | CC(C)[CH](N[S](=O)(=O)c1ccc2c(sc3ccccc23)c1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc2c3ccccc3sc2c1 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(C(=O)O)NS(=O)(=O)c1ccc2c3ccccc3sc2c1 |
InChI | InChI | 1.03 | InChI=1S/C17H17NO4S2/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-13-12-5-3-4-6-14(12)23-15(13)9-11/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | RZWYSEXQXOXWKA-INIZCTEOSA-N |