Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(/C=C/C(N)CCc1ccccc1)c2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCc1ccccc1)/C=C/[S](=O)(=O)c2ccccc2 |
SMILES | CACTVS | 3.370 | N[CH](CCc1ccccc1)C=C[S](=O)(=O)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC[C@@H](/C=C/S(=O)(=O)c2ccccc2)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CCC(C=CS(=O)(=O)c2ccccc2)N |
InChI | InChI | 1.03 | InChI=1S/C17H19NO2S/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16H,11-12,18H2/t16-/m0/s1 |
InChIKey | InChI | 1.03 | ZPXIQFOUPUVVPU-INIZCTEOSA-N |