A8X
Summary
Name: | 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid |
Synonyms: | Ramatroban |
Formula: | C21 H21 F N2 O4 S |
Formal charge: | 0 |
Formula weight: | 416.466 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 3-[(3~{R})-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | LDXDSHIEDAPSSA-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCn1c2CC[C@H](Cc2c3ccccc13)N[S](=O)(=O)c4ccc(F)cc4 |
SMILES | CACTVS | 3.385 | OC(=O)CCn1c2CC[CH](Cc2c3ccccc13)N[S](=O)(=O)c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c3c(n2CCC(=O)O)CC[C@H](C3)NS(=O)(=O)c4ccc(cc4)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c3c(n2CCC(=O)O)CCC(C3)NS(=O)(=O)c4ccc(cc4)F |