O5H
Summary
| Name: | 1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea |
| Formula: | C16 H20 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 348.42 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H20N4O3S/c17-24(22,23)15-8-4-7-14(11-15)20-16(21)19-10-9-18-12-13-5-2-1-3-6-13/h1-8,11,18H,9-10,12H2,(H2,17,22,23)(H2,19,20,21) |
| InChIKey | InChI | 1.03 | OSBIIXRLYSASNI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1cccc(NC(=O)NCCNCc2ccccc2)c1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1cccc(NC(=O)NCCNCc2ccccc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N |
