Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C)C(C)C |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)[S](=O)(=O)NCCc1ccc(CCN[S](=O)(=O)C(C)C)cc1 |
SMILES | CACTVS | 3.370 | CC(C)[S](=O)(=O)NCCc1ccc(CCN[S](=O)(=O)C(C)C)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)S(=O)(=O)NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C |
SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)S(=O)(=O)NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C16H28N2O4S2/c1-13(2)23(19,20)17-11-9-15-5-7-16(8-6-15)10-12-18-24(21,22)14(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3 |
InChIKey | InChI | 1.03 | FHLGMMYEKXPVSC-UHFFFAOYSA-N |