| PDB CCD ID: | 20O |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C21 H18 N2 O3 S |
| InChI: | InChI=1S/C21H18N2O3S/c24-21(20-13-19(20)15-5-4-12-22-14-15)23-16-8-10-18(11-9-16)27(25,26)17-6-2-1-3-7-17/h1-12,14,19-20H,13H2,(H,23,24)/t19-,20+/m1/s1 |
| InChIKey: | YERMBKYNILMCNC-UXHICEINSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)C3CC3c4cccnc4 | | ACDLabs 12.01 | O=S(=O)(c1ccccc1)c2ccc(cc2)NC(=O)C4CC4c3cccnc3 | | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)[C@H]3C[C@@H]3c4cccnc4 | | CACTVS 3.385 | O=C(Nc1ccc(cc1)[S](=O)(=O)c2ccccc2)[C@H]3C[C@@H]3c4cccnc4 | | CACTVS 3.385 | O=C(Nc1ccc(cc1)[S](=O)(=O)c2ccccc2)[CH]3C[CH]3c4cccnc4 |
|
| Name: | (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide |
| ChEMBL: | CHEMBL3127521 |
| ZINC: | ZINC000095920882 |
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