Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CN(C)S(=O)(=O)c1cccc2c1cccc2N(C)C |
SMILES_CANONICAL | CACTVS | 3.352 | CN(C)c1cccc2c1cccc2[S](=O)(=O)N(C)CC(O)=O |
SMILES | CACTVS | 3.352 | CN(C)c1cccc2c1cccc2[S](=O)(=O)N(C)CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CN(C)c1cccc2c1cccc2S(=O)(=O)[N@@](C)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | CN(C)c1cccc2c1cccc2S(=O)(=O)N(C)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C15H18N2O4S/c1-16(2)13-8-4-7-12-11(13)6-5-9-14(12)22(20,21)17(3)10-15(18)19/h4-9H,10H2,1-3H3,(H,18,19) |
InChIKey | InChI | 1.03 | BRLJKBOXIVONAG-UHFFFAOYSA-N |