Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1cc\2c(cc1)NC(=O)C/2=C/c3cc4c(n3)CCCC4)N(C)C |
SMILES_CANONICAL | CACTVS | 3.352 | CN(C)[S](=O)(=O)c1ccc2NC(=O)C(=C\c3[nH]c4CCCCc4c3)/c2c1 |
SMILES | CACTVS | 3.352 | CN(C)[S](=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCCc4c3)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c3cc4c([nH]3)CCCC4)/C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.6.1 | CN(C)S(=O)(=O)c1ccc2c(c1)C(=Cc3cc4c([nH]3)CCCC4)C(=O)N2 |
InChI | InChI | 1.03 | InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10- |
InChIKey | InChI | 1.03 | LOGJQOUIVKBFGH-YBEGLDIGSA-N |