VS9
Summary
| Name: | [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate |
| Formula: | C18 H25 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 335.461 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H25NO3S/c1-18-9-2-3-17(18)16-6-4-12-11-13(22-23(19,20)21)5-7-14(12)15(16)8-10-18/h5,7,11,15-17H,2-4,6,8-10H2,1H3,(H2,19,20,21)/t15-,16-,17+,18+/m1/s1 |
| InChIKey | InChI | 1.06 | HNLBHJBMLWFWSC-BDXSIMOUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]12CCC[C@H]1[C@@H]3CCc4cc(O[S](N)(=O)=O)ccc4[C@H]3CC2 |
| SMILES | CACTVS | 3.385 | C[C]12CCC[CH]1[CH]3CCc4cc(O[S](N)(=O)=O)ccc4[CH]3CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]12CCC[C@H]1[C@@H]3CCc4cc(ccc4[C@H]3CC2)OS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC12CCCC1C3CCc4cc(ccc4C3CC2)OS(=O)(=O)N |
