Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1ccc2c(c1)CCC(=O)N2CCC)Cc3ccc(cc3)C |
InChI | InChI | 1.03 | InChI=1S/C20H24N2O3S/c1-3-12-22-19-10-9-18(13-17(19)8-11-20(22)23)21-26(24,25)14-16-6-4-15(2)5-7-16/h4-7,9-10,13,21H,3,8,11-12,14H2,1-2H3 |
InChIKey | InChI | 1.03 | IVHKSUMLZQXFPR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccc(C)cc3)ccc12 |
SMILES | CACTVS | 3.385 | CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccc(C)cc3)ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3)C |