Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCC(CCO)CC1)c2ccc(cc2)c5cc4c3c(cnn3)S(=O)(=O)N(c4cc5)C |
InChI | InChI | 1.03 | InChI=1S/C24H26N4O4S/c1-27-21-7-6-19(14-20(21)23-22(15-25-26-23)33(27,31)32)17-2-4-18(5-3-17)24(30)28-11-8-16(9-12-28)10-13-29/h2-7,14-16,29H,8-13H2,1H3,(H,25,26) |
InChIKey | InChI | 1.03 | FADYFQASOSLUAS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN1c2ccc(cc2c3[nH]ncc3[S]1(=O)=O)c4ccc(cc4)C(=O)N5CCC(CCO)CC5 |
SMILES | CACTVS | 3.370 | CN1c2ccc(cc2c3[nH]ncc3[S]1(=O)=O)c4ccc(cc4)C(=O)N5CCC(CCO)CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1c2ccc(cc2-c3c(cn[nH]3)S1(=O)=O)c4ccc(cc4)C(=O)N5CCC(CC5)CCO |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1c2ccc(cc2-c3c(cn[nH]3)S1(=O)=O)c4ccc(cc4)C(=O)N5CCC(CC5)CCO |