Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c14c(cc(cc1)C(=O)NCCc2ccc(cc2)S(N)(=O)=O)NC(c3ccccc3S4)=O |
InChI | InChI | 1.03 | InChI=1S/C22H19N3O4S2/c23-31(28,29)16-8-5-14(6-9-16)11-12-24-21(26)15-7-10-20-18(13-15)25-22(27)17-3-1-2-4-19(17)30-20/h1-10,13H,11-12H2,(H,24,26)(H,25,27)(H2,23,28,29) |
InChIKey | InChI | 1.03 | SRCNZFOQRLDOBM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(CCNC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2)cc1 |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(CCNC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)Nc3cc(ccc3S2)C(=O)NCCc4ccc(cc4)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)Nc3cc(ccc3S2)C(=O)NCCc4ccc(cc4)S(=O)(=O)N |