Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C18H18ClN3O3S/c1-11-15(18(23)21-26(24,25)22(2)3)10-16(14-8-9-20-17(11)14)12-4-6-13(19)7-5-12/h4-10,20H,1-3H3,(H,21,23) |
InChIKey | InChI | 1.06 | KVLWDVXAVQTEGW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[S](=O)(=O)NC(=O)c1cc(c2ccc(Cl)cc2)c3cc[nH]c3c1C |
SMILES | CACTVS | 3.385 | CN(C)[S](=O)(=O)NC(=O)c1cc(c2ccc(Cl)cc2)c3cc[nH]c3c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c2c1[nH]cc2)c3ccc(cc3)Cl)C(=O)NS(=O)(=O)N(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c2c1[nH]cc2)c3ccc(cc3)Cl)C(=O)NS(=O)(=O)N(C)C |