Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCOCC1)C(N3C(=O)C(NS(=O)(=O)\C=C\c2ccc(Cl)cc2)CC3)C |
InChI | InChI | 1.03 | InChI=1S/C19H24ClN3O5S/c1-14(18(24)22-9-11-28-12-10-22)23-8-6-17(19(23)25)21-29(26,27)13-7-15-2-4-16(20)5-3-15/h2-5,7,13-14,17,21H,6,8-12H2,1H3/b13-7+/t14-,17-/m0/s1 |
InChIKey | InChI | 1.03 | DNCVZNVETAOAJO-PPYZAHLJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N1CC[C@H](N[S](=O)(=O)\C=C\c2ccc(Cl)cc2)C1=O)C(=O)N3CCOCC3 |
SMILES | CACTVS | 3.385 | C[CH](N1CC[CH](N[S](=O)(=O)C=Cc2ccc(Cl)cc2)C1=O)C(=O)N3CCOCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(cc3)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)C=Cc3ccc(cc3)Cl |