9E8
Summary
Name: | 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea |
Formula: | C15 H16 Cl N3 O3 S |
Formal charge: | 0 |
Formula weight: | 353.824 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C15H16ClN3O3S/c16-12-3-5-13(6-4-12)19-15(20)18-10-9-11-1-7-14(8-2-11)23(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20) |
InChIKey | InChI | 1.03 | VPDAMEWDQFFXRN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1 |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCNC(=O)Nc2ccc(cc2)Cl)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCNC(=O)Nc2ccc(cc2)Cl)S(=O)(=O)N |