A1JD1
Summary
| Name: | N-benzyl-2-(2-chloro-N-(3-chloro-4-methoxyphenyl)acetamido)-2-(4-sulfamoylphenyl)acetamide |
| Synonyms: | (2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(phenylmethyl)-2-(4-sulfamoylphenyl)ethanamide |
| Formula: | C24 H23 Cl2 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 536.428 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(phenylmethyl)-2-(4-sulfamoylphenyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H23Cl2N3O5S/c1-34-21-12-9-18(13-20(21)26)29(22(30)14-25)23(17-7-10-19(11-8-17)35(27,32)33)24(31)28-15-16-5-3-2-4-6-16/h2-13,23H,14-15H2,1H3,(H,28,31)(H2,27,32,33)/t23-/m1/s1 |
| InChIKey | InChI | 1.06 | PGPXDJUSMTZTER-HSZRJFAPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1Cl)N([C@H](C(=O)NCc2ccccc2)c3ccc(cc3)[S](N)(=O)=O)C(=O)CCl |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1Cl)N([CH](C(=O)NCc2ccccc2)c3ccc(cc3)[S](N)(=O)=O)C(=O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1Cl)N([C@@H](c2ccc(cc2)S(=O)(=O)N)C(=O)NCc3ccccc3)C(=O)CCl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1Cl)N(C(c2ccc(cc2)S(=O)(=O)N)C(=O)NCc3ccccc3)C(=O)CCl |
