3CC
Summary
| Name: | N-[(2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl]-2-propylpentanamide |
| Formula: | C17 H26 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 338.465 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-propyl-N-[(2R)-5-sulfamoyl-2,3-dihydro-1H-inden-2-yl]pentanamide |
| OpenEye OEToolkits | 1.5.0 | 2-propyl-N-[(2R)-5-sulfamoyl-2,3-dihydro-1H-inden-2-yl]pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c1ccc2c(c1)CC(NC(=O)C(CCC)CCC)C2)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCC(CCC)C(=O)N[C@@H]1Cc2ccc(cc2C1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.341 | CCCC(CCC)C(=O)N[CH]1Cc2ccc(cc2C1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC(CCC)C(=O)N[C@@H]1Cc2ccc(cc2C1)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | XBYJCVDSFWJBSM-OAHLLOKOSA-N |
