| PDB CCD ID: | KN9 |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C26 H29 Cl N2 O4 S |
| InChI: | InChI=1S/C26H29ClN2O4S/c1-28(17-5-6-21-9-11-23(27)12-10-21)20-22-7-3-4-8-26(22)29(18-19-30)34(31,32)25-15-13-24(33-2)14-16-25/h3-16,30H,17-20H2,1-2H3/b6-5+ |
| InChIKey: | LLLQTDSSHZREGW-AATRIKPKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CN(C/C=C/c1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=O)(=O)c3ccc(cc3)OC | | CACTVS 3.385 | COc1ccc(cc1)[S](=O)(=O)N(CCO)c2ccccc2CN(C)C\C=C\c3ccc(Cl)cc3 | | ACDLabs 12.01 | CN(Cc1ccccc1N(CCO)S(c2ccc(OC)cc2)(=O)=O)C\C=C\c3ccc(cc3)Cl | | CACTVS 3.385 | COc1ccc(cc1)[S](=O)(=O)N(CCO)c2ccccc2CN(C)CC=Cc3ccc(Cl)cc3 | | OpenEye OEToolkits 2.0.7 | CN(CC=Cc1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=O)(=O)c3ccc(cc3)OC |
|
| Name: | N-[2-[[[3-(4'-Chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4'-methoxybenzenesulfonamide;
N-[2-({[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzene-1-sulfonamide |
| ChEMBL: | CHEMBL155333 |
| ZINC: | ZINC000053246208 |
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