| PDB CCD ID: | 18J |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C18 H21 N O3 S |
| InChI: | InChI=1S/C18H21NO3S/c1-4-23(21,22)19-17-9-7-15(8-10-17)5-6-16-11-13(2)18(20)14(3)12-16/h5-12,19-20H,4H2,1-3H3/b6-5+ |
| InChIKey: | ORNLONLBPQOYPF-AATRIKPKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | CCS(=O)(=O)Nc1ccc(cc1)C=Cc2cc(c(c(c2)C)O)C | | OpenEye OEToolkits 1.7.6 | CCS(=O)(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C | | CACTVS 3.370 | CC[S](=O)(=O)Nc1ccc(cc1)/C=C/c2cc(C)c(O)c(C)c2 | | ACDLabs 12.01 | O=S(=O)(Nc1ccc(cc1)\C=C\c2cc(c(O)c(c2)C)C)CC | | CACTVS 3.370 | CC[S](=O)(=O)Nc1ccc(cc1)C=Cc2cc(C)c(O)c(C)c2 |
|
| Name: | N-{4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}ethanesulfonamide;
(E)-N-(4-(4-HYDROXY-3,5-DIMETHYLSTYRYL)ETHANESULFONAMIDE, bound form |
| ZINC: | ZINC000095921262 |
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