VYY
Summary
| Name: | 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide |
| Formula: | C16 H20 N4 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 412.484 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 1-(4-methylphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)c2ccc(C)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C16H20N4O5S2/c1-12-2-4-13(5-3-12)19-16(21)18-10-11-26(22,23)20-14-6-8-15(9-7-14)27(17,24)25/h2-9,20H,10-11H2,1H3,(H2,17,24,25)(H2,18,19,21) |
| InChIKey | InChI | 1.03 | YDAOBULQBPBUCA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(NC(=O)NCC[S](=O)(=O)Nc2ccc(cc2)[S](N)(=O)=O)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(NC(=O)NCC[S](=O)(=O)Nc2ccc(cc2)[S](N)(=O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N |
