Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3sc(/C=C/S(=O)(=O)NC2C(=O)N(c1ccc(C(=O)N(C)C)cc1F)CC2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C19H19ClFN3O4S2/c1-23(2)18(25)12-3-5-16(14(21)11-12)24-9-7-15(19(24)26)22-30(27,28)10-8-13-4-6-17(20)29-13/h3-6,8,10-11,15,22H,7,9H2,1-2H3/b10-8+/t15-/m0/s1 |
InChIKey | InChI | 1.03 | YVFKLOGRKAMHKF-HQPKTYMTSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)c1ccc(N2CC[C@H](N[S](=O)(=O)\C=C\c3sc(Cl)cc3)C2=O)c(F)c1 |
SMILES | CACTVS | 3.385 | CN(C)C(=O)c1ccc(N2CC[CH](N[S](=O)(=O)C=Cc3sc(Cl)cc3)C2=O)c(F)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(C)C(=O)c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(s3)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | CN(C)C(=O)c1ccc(c(c1)F)N2CCC(C2=O)NS(=O)(=O)C=Cc3ccc(s3)Cl |