A1ADH
Summary
| Name: | 4,4'-[carbonylbis(azanediylethane-2,1-diyl)]di(benzene-1-sulfonamide) |
| Formula: | C17 H22 N4 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 426.51 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,4'-[carbonylbis(azanediylethane-2,1-diyl)]di(benzene-1-sulfonamide) |
| OpenEye OEToolkits | 2.0.7 | 1,3-bis[2-(4-sulfamoylphenyl)ethyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(N)(=O)c1ccc(CCNC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C17H22N4O5S2/c18-27(23,24)15-5-1-13(2-6-15)9-11-20-17(22)21-12-10-14-3-7-16(8-4-14)28(19,25)26/h1-8H,9-12H2,(H2,18,23,24)(H2,19,25,26)(H2,20,21,22) |
| InChIKey | InChI | 1.06 | MBLSTXDMAAHFCE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(CCNC(=O)NCCc2ccc(cc2)[S](N)(=O)=O)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(CCNC(=O)NCCc2ccc(cc2)[S](N)(=O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCNC(=O)NCCc2ccc(cc2)S(=O)(=O)N)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCNC(=O)NCCc2ccc(cc2)S(=O)(=O)N)S(=O)(=O)N |
