EOQ
Summary
| Name: | 4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide |
| Formula: | C16 H18 Cl N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 383.85 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H18ClN3O4S/c17-13-9-14(20-10-11-4-2-1-3-5-11)12(16(22)19-6-7-21)8-15(13)25(18,23)24/h1-5,8-9,20-21H,6-7,10H2,(H,19,22)(H2,18,23,24) |
| InChIKey | InChI | 1.03 | JHJVKSXZTYMHHX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1cc(C(=O)NCCO)c(NCc2ccccc2)cc1Cl |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1cc(C(=O)NCCO)c(NCc2ccccc2)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNc2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNc2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl |
