CP8
Summary
| Name: | 2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL) ETHYL-4-(4'-ETHOXY [1,1'-BIPHENYL]-4-YL)-4-OXOBUTANOIC ACID |
| Synonyms: | CP-271485 (6R)-4-BENZYL-6-(1-METHYL-2,2-DIOXIDO-1,3-DIHYDRO-2,1-BENZISOTHIAZOL-5-YL)MORPHOLIN-3-ONE |
| Formula: | C19 H20 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 372.438 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (6S)-4-benzyl-6-(1-methyl-2,2-dioxido-1,3-dihydro-2,1-benzisothiazol-5-yl)morpholin-3-one |
| OpenEye OEToolkits | 1.5.0 | (6S)-6-[(1R)-1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl]-4-(phenylmethyl)morpholin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2N(Cc1ccccc1)CC(OC2)c3cc4c(cc3)N(C)S(=O)(=O)C4 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1c2ccc(cc2C[S]1(=O)=O)[C@H]3CN(Cc4ccccc4)C(=O)CO3 |
| SMILES | CACTVS | 3.341 | CN1c2ccc(cc2C[S]1(=O)=O)[CH]3CN(Cc4ccccc4)C(=O)CO3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@@]1c2ccc(cc2CS1(=O)=O)[C@H]3CN(C(=O)CO3)Cc4ccccc4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1c2ccc(cc2CS1(=O)=O)C3CN(C(=O)CO3)Cc4ccccc4 |
| InChI | InChI | 1.03 | InChI=1S/C19H20N2O4S/c1-20-17-8-7-15(9-16(17)13-26(20,23)24)18-11-21(19(22)12-25-18)10-14-5-3-2-4-6-14/h2-9,18H,10-13H2,1H3/t18-/m1/s1 |
| InChIKey | InChI | 1.03 | CIUMOGWIMXNXSQ-GOSISDBHSA-N |
