| PDB CCD ID: | 9MV |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H21 Br N2 O5 S2 |
| InChI: | InChI=1S/C24H21BrN2O5S2/c25-18-7-8-20-19(14-18)24(9-11-26(12-10-24)34(31,32)21-2-1-13-33-21)23(30)27(20)15-16-3-5-17(6-4-16)22(28)29/h1-8,13-14H,9-12,15H2,(H,28,29) |
| InChIKey: | GNPZBVGDUWGWDJ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C13(CCN(CC1)S(c2cccs2)(=O)=O)C(N(c4c3cc(Br)cc4)Cc5ccc(cc5)C(=O)O)=O | | CACTVS 3.385 | OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)[S](=O)(=O)c4sccc4)c5cc(Br)ccc25)cc1 | | OpenEye OEToolkits 2.0.6 | c1cc(sc1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br |
|
| Name: | 4-({5-bromo-2-oxo-1'-[(thiophen-2-yl)sulfonyl]spiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)benzoic acid |
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