Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1ccc(c2cc3ncn(CCCNS(C)(=O)=O)c3c(c2)C(=O)O)c(Cl)c1 |
InChI | InChI | 1.06 | InChI=1S/C19H20ClN3O4S/c1-12-4-5-14(16(20)8-12)13-9-15(19(24)25)18-17(10-13)21-11-23(18)7-3-6-22-28(2,26)27/h4-5,8-11,22H,3,6-7H2,1-2H3,(H,24,25) |
InChIKey | InChI | 1.06 | CQJAMPJIDLKVNT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(c(Cl)c1)c2cc3ncn(CCCN[S](C)(=O)=O)c3c(c2)C(O)=O |
SMILES | CACTVS | 3.385 | Cc1ccc(c(Cl)c1)c2cc3ncn(CCCN[S](C)(=O)=O)c3c(c2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)Cl)c2cc(c3c(c2)ncn3CCCNS(=O)(=O)C)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)Cl)c2cc(c3c(c2)ncn3CCCNS(=O)(=O)C)C(=O)O |