V0W
Summary
| Name: | 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane |
| Formula: | C13 H20 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 268.375 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H20N2O2S/c1-12-4-6-13(7-5-12)18(16,17)15-9-3-8-14(2)10-11-15/h4-7H,3,8-11H2,1-2H3 |
| InChIKey | InChI | 1.03 | XUCATVRSDLBKNC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCCN(CC1)[S](=O)(=O)c2ccc(C)cc2 |
| SMILES | CACTVS | 3.385 | CN1CCCN(CC1)[S](=O)(=O)c2ccc(C)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)C |
