| PDB CCD ID: | I6U |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H20 N4 O4 S |
| InChI: | InChI=1S/C19H20N4O4S/c20-28(26,27)15-7-5-14(6-8-15)21-19(25)22-11-17-16-4-2-1-3-13(16)9-10-23(17)18(24)12-22/h1-8,17H,9-12H2,(H,21,25)(H2,20,26,27)/t17-/m0/s1 |
| InChIKey: | FKLQDIPEZBBTGO-KRWDZBQOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)CCN3C2CN(CC3=O)C(=O)Nc4ccc(cc4)S(=O)(=O)N | | CACTVS 3.385 | N[S](=O)(=O)c1ccc(NC(=O)N2C[CH]3N(CCc4ccccc34)C(=O)C2)cc1 | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)CCN3[C@H]2CN(CC3=O)C(=O)Nc4ccc(cc4)S(=O)(=O)N | | CACTVS 3.385 | N[S](=O)(=O)c1ccc(NC(=O)N2C[C@@H]3N(CCc4ccccc34)C(=O)C2)cc1 |
|
| Name: | (11~{b}~{R})-4-oxidanylidene-~{N}-(4-sulfamoylphenyl)-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide |
