| PDB CCD ID: | QN3 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C30 H29 Cl2 N3 O4 S2 |
| InChI: | InChI=1S/C30H29Cl2N3O4S2/c31-25-15-7-9-17-29(25)40(36,37)34(21-23-11-3-1-4-12-23)27-19-33-20-28(27)35(22-24-13-5-2-6-14-24)41(38,39)30-18-10-8-16-26(30)32/h1-18,27-28,33H,19-22H2/t27-,28-/m0/s1 |
| InChIKey: | LCDFLCDWPLFFSC-NSOVKSMOSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | Clc1ccccc1[S](=O)(=O)N(Cc2ccccc2)[CH]3CNC[CH]3N(Cc4ccccc4)[S](=O)(=O)c5ccccc5Cl | | CACTVS 3.341 | Clc1ccccc1[S](=O)(=O)N(Cc2ccccc2)[C@H]3CNC[C@@H]3N(Cc4ccccc4)[S](=O)(=O)c5ccccc5Cl | | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)CN(C2CNCC2N(Cc3ccccc3)S(=O)(=O)c4ccccc4Cl)S(=O)(=O)c5ccccc5Cl | | ACDLabs 10.04 | O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccccc2Cl)CNC3)Cc4ccccc4)c5ccccc5Cl | | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4Cl)S(=O)(=O)c5ccccc5Cl |
|
| Name: | N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide) |
| ChEMBL: | CHEMBL1189750 |
| ZINC: | ZINC000095543548 |
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