PDB CCD ID: | 0N6 |
Number of entries in BioLiP: | 4 |
Chemical formula: | C23 H26 N4 O3 S |
InChI: | InChI=1S/C23H26N4O3S/c24-15-18-5-3-4-17(12-18)13-22(23(28)27-10-1-2-11-27)26-31(29,30)21-7-6-20-16-25-9-8-19(20)14-21/h3-7,12,14,22,25-26H,1-2,8-11,13,16H2/t22-/m1/s1 |
InChIKey: | WWKTZMSNGFQJAG-JOCHJYFZSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.370 | O=C([CH](Cc1cccc(c1)C#N)N[S](=O)(=O)c2ccc3CNCCc3c2)N4CCCC4 | ACDLabs 12.01 | O=C(N1CCCC1)C(NS(=O)(=O)c2cc3c(cc2)CNCC3)Cc4cccc(C#N)c4 | CACTVS 3.370 | O=C([C@@H](Cc1cccc(c1)C#N)N[S](=O)(=O)c2ccc3CNCCc3c2)N4CCCC4 | OpenEye OEToolkits 1.7.6 | c1cc(cc(c1)C#N)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3ccc4c(c3)CCNC4 | OpenEye OEToolkits 1.7.6 | c1cc(cc(c1)C#N)CC(C(=O)N2CCCC2)NS(=O)(=O)c3ccc4c(c3)CCNC4 |
|
Name: | (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide |
ZINC: | ZINC000095920699 |