YLR
Summary
| Name: | (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide |
| Formula: | C22 H20 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 376.471 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | (3~{a}~{R},4~{S},9~{b}~{S})-4-naphthalen-1-yl-3~{a},4,5,9~{b}-tetrahydro-3~{H}-cyclopenta[c]quinoline-8-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C22H20N2O2S/c23-27(25,26)15-11-12-21-20(13-15)17-8-4-10-19(17)22(24-21)18-9-3-6-14-5-1-2-7-16(14)18/h1-9,11-13,17,19,22,24H,10H2,(H2,23,25,26)/t17-,19+,22+/m0/s1 |
| InChIKey | InChI | 1.06 | SIZWDJIHABLBSP-LRXVAGHRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2N[C@@H]([C@@H]3CC=C[C@@H]3c2c1)c4cccc5ccccc45 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2N[CH]([CH]3CC=C[CH]3c2c1)c4cccc5ccccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2[C@@H]3[C@@H]4CC=C[C@@H]4c5cc(ccc5N3)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2C3C4CC=CC4c5cc(ccc5N3)S(=O)(=O)N |
