Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1cc(ccc1)S(=O)(=O)N3Cc2c(cccc2)CC3 |
InChI | InChI | 1.03 | InChI=1S/C16H15NO4S/c18-16(19)13-6-3-7-15(10-13)22(20,21)17-9-8-12-4-1-2-5-14(12)11-17/h1-7,10H,8-9,11H2,(H,18,19) |
InChIKey | InChI | 1.03 | ZGVIUMKHTXKKOX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1cccc(c1)[S](=O)(=O)N2CCc3ccccc3C2 |
SMILES | CACTVS | 3.370 | OC(=O)c1cccc(c1)[S](=O)(=O)N2CCc3ccccc3C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CCN(C2)S(=O)(=O)c3cccc(c3)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CCN(C2)S(=O)(=O)c3cccc(c3)C(=O)O |