18J
Summary
| Name: | N-{4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}ethanesulfonamide |
| Synonyms: | (E)-N-(4-(4-HYDROXY-3,5-DIMETHYLSTYRYL)ETHANESULFONAMIDE, bound form |
| Formula: | C18 H21 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 331.429 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}ethanesulfonamide |
| OpenEye OEToolkits | 1.7.6 | N-[4-[(E)-2-(3,5-dimethyl-4-oxidanyl-phenyl)ethenyl]phenyl]ethanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1ccc(cc1)\C=C\c2cc(c(O)c(c2)C)C)CC |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | ORNLONLBPQOYPF-AATRIKPKSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[S](=O)(=O)Nc1ccc(cc1)/C=C/c2cc(C)c(O)c(C)c2 |
| SMILES | CACTVS | 3.370 | CC[S](=O)(=O)Nc1ccc(cc1)C=Cc2cc(C)c(O)c(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCS(=O)(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCS(=O)(=O)Nc1ccc(cc1)C=Cc2cc(c(c(c2)C)O)C |
