A1JFM
Summary
| Name: | 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]-~{N}-(2-sulfamoylethyl)ethanamide |
| Formula: | C21 H22 Cl N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 463.934 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]-~{N}-(2-sulfamoylethyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H22ClN3O5S/c1-13-17(12-20(26)24-9-10-31(23,28)29)18-11-16(30-2)7-8-19(18)25(13)21(27)14-3-5-15(22)6-4-14/h3-8,11H,9-10,12H2,1-2H3,(H,24,26)(H2,23,28,29) |
| InChIKey | InChI | 1.06 | AAOQDHDMZVCMMU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2n(c(C)c(CC(=O)NCC[S](N)(=O)=O)c2c1)C(=O)c3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.385 | COc1ccc2n(c(C)c(CC(=O)NCC[S](N)(=O)=O)c2c1)C(=O)c3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCS(=O)(=O)N |
