A1IWY
Summary
| Name: | ~{N}-(3-chloranyl-4-methoxy-phenyl)-~{N}-[(1~{S})-2-oxidanylidene-2-[(phenylmethyl)amino]-1-(4-sulfamoylphenyl)ethyl]-3-trimethylsilyl-prop-2-ynamide |
| Formula: | C28 H30 Cl N3 O5 S Si |
| Formal charge: | 0 |
| Formula weight: | 584.158 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-chloranyl-4-methoxy-phenyl)-~{N}-[(1~{S})-2-oxidanylidene-2-[(phenylmethyl)amino]-1-(4-sulfamoylphenyl)ethyl]-3-trimethylsilyl-prop-2-ynamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C28H30ClN3O5SSi/c1-37-25-15-12-22(18-24(25)29)32(26(33)16-17-39(2,3)4)27(21-10-13-23(14-11-21)38(30,35)36)28(34)31-19-20-8-6-5-7-9-20/h5-15,18,27H,19H2,1-4H3,(H,31,34)(H2,30,35,36)/t27-/m1/s1 |
| InChIKey | InChI | 1.06 | SCSIQQONVAYEDI-HHHXNRCGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1Cl)N([C@H](C(=O)NCc2ccccc2)c3ccc(cc3)[S](N)(=O)=O)C(=O)C#C[Si](C)(C)C |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1Cl)N([CH](C(=O)NCc2ccccc2)c3ccc(cc3)[S](N)(=O)=O)C(=O)C#C[Si](C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1Cl)N([C@@H](c2ccc(cc2)S(=O)(=O)N)C(=O)NCc3ccccc3)C(=O)C#C[Si](C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1Cl)N(C(c2ccc(cc2)S(=O)(=O)N)C(=O)NCc3ccccc3)C(=O)C#C[Si](C)(C)C |
