Y1Q
Summary
| Name: | N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-[2-(4-sulfamoylphenoxy)ethyl]propanamide |
| Formula: | C22 H25 F3 N6 O4 S |
| Formal charge: | 0 |
| Formula weight: | 526.532 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-[2-(4-sulfamoylphenoxy)ethyl]propanamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-3-[2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]-~{N}-[2-(4-sulfamoylphenoxy)ethyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NS(=O)(=O)c1ccc(cc1)OCCN(C)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C22H25F3N6O4S/c1-15-27-29-31(28-15)14-17-13-18(22(23,24)25)5-3-16(17)4-10-21(32)30(2)11-12-35-19-6-8-20(9-7-19)36(26,33)34/h3,5-9,13H,4,10-12,14H2,1-2H3,(H2,26,33,34) |
| InChIKey | InChI | 1.06 | RBUHUBXITSEUQK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCOc1ccc(cc1)[S](N)(=O)=O)C(=O)CCc2ccc(cc2Cn3nnc(C)n3)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CN(CCOc1ccc(cc1)[S](N)(=O)=O)C(=O)CCc2ccc(cc2Cn3nnc(C)n3)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N(C)CCOc3ccc(cc3)S(=O)(=O)N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N(C)CCOc3ccc(cc3)S(=O)(=O)N)C(F)(F)F |
