FE7
Summary
| Name: | N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide |
| Formula: | C29 H32 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 516.654 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(3~{Z})-2-oxidanylidene-3-[phenyl-[[4-(piperidin-1-ylmethyl)phenyl]amino]methylidene]-1~{H}-indol-5-yl]ethanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c\15c(NC(=O)C/1=C(\c2ccccc2)Nc3ccc(cc3)CN4CCCCC4)ccc(c5)NS(CC)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b28-27- |
| InChIKey | InChI | 1.03 | GLDSKRNGVVYJAB-DQSJHHFOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)Nc1ccc2NC(=O)C(=C(Nc3ccc(CN4CCCCC4)cc3)/c5ccccc5)/c2c1 |
| SMILES | CACTVS | 3.385 | CC[S](=O)(=O)Nc1ccc2NC(=O)C(=C(Nc3ccc(CN4CCCCC4)cc3)c5ccccc5)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(\c3ccccc3)/Nc4ccc(cc4)CN5CCCCC5)/C(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCS(=O)(=O)Nc1ccc2c(c1)C(=C(c3ccccc3)Nc4ccc(cc4)CN5CCCCC5)C(=O)N2 |
