9HK
Summary
| Name: | 4-[(4-nitrophenyl)methyl]benzenesulfonamide |
| Formula: | C13 H12 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 292.31 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-[(4-nitrophenyl)methyl]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H12N2O4S/c14-20(18,19)13-7-3-11(4-8-13)9-10-1-5-12(6-2-10)15(16)17/h1-8H,9H2,(H2,14,18,19) |
| InChIKey | InChI | 1.03 | BTYDYHYETOUTRB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(Cc2ccc(cc2)[N+]([O-])=O)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(Cc2ccc(cc2)[N+]([O-])=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-] |
