Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1C(=CN(C=C1C(O)=O)Cc2ccc(cc2)c3ccc(cc3)S(N)(=O)=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H16N2O6S/c20-28(26,27)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-21-10-16(19(24)25)18(23)17(22)11-21/h1-8,10-11,22H,9H2,(H,24,25)(H2,20,26,27) |
InChIKey | InChI | 1.03 | ITQGYJSLTCSCLX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1)c2ccc(CN3C=C(O)C(=O)C(=C3)C(O)=O)cc2 |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1)c2ccc(CN3C=C(O)C(=O)C(=C3)C(O)=O)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1CN2C=C(C(=O)C(=C2)O)C(=O)O)c3ccc(cc3)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1CN2C=C(C(=O)C(=C2)O)C(=O)O)c3ccc(cc3)S(=O)(=O)N |