GMR
Summary
| Name: | 3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-car boxamide |
| Synonyms: | glimepiride |
| Formula: | C24 H34 N4 O5 S |
| Formal charge: | 0 |
| Formula weight: | 490.616 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 4-ethyl-3-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxidanylidene-2H-pyrrole-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S(NC(=O)NC1CCC(C)CC1)(=O)(=O)c3ccc(CCNC(=O)N2C(=O)C(=C(C2)C)CC)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19+ |
| InChIKey | InChI | 1.03 | WIGIZIANZCJQQY-UWUNEBHHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)N[C@H]3CC[C@@H](C)CC3)C1=O |
| SMILES | CACTVS | 3.385 | CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)N[CH]3CC[CH](C)CC3)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C |
