24Q
Summary
| Name: | 6-(cyclohexylmethyl)-N-[4-(methylsulfonylcarbamoyl)-2-(phenylmethyl)phenyl]pyridine-2-carboxamide |
| Formula: | C28 H31 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 505.628 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{2-benzyl-4-[(methylsulfonyl)carbamoyl]phenyl}-6-(cyclohexylmethyl)pyridine-2-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 6-(cyclohexylmethyl)-N-[4-(methylsulfonylcarbamoyl)-2-(phenylmethyl)phenyl]pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(NC(=O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3nc(ccc3)CC4CCCCC4)C |
| InChI | InChI | 1.03 | InChI=1S/C28H31N3O4S/c1-36(34,35)31-27(32)22-15-16-25(23(19-22)17-20-9-4-2-5-10-20)30-28(33)26-14-8-13-24(29-26)18-21-11-6-3-7-12-21/h2,4-5,8-10,13-16,19,21H,3,6-7,11-12,17-18H2,1H3,(H,30,33)(H,31,32) |
| InChIKey | InChI | 1.03 | ZNGZJFRXFZQBMG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc4ccccc4)c1 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc4ccccc4)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CS(=O)(=O)NC(=O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3cccc(n3)CC4CCCCC4 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CS(=O)(=O)NC(=O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3cccc(n3)CC4CCCCC4 |
