PDB CCD ID: | 9LM |
Number of entries in BioLiP: | 1 |
Chemical formula: | C21 H23 N3 O3 S2 |
InChI: | InChI=1S/C21H23N3O3S2/c1-15(2)22-21(25)24-18(16-7-4-3-5-8-16)13-17-10-11-23(14-19(17)24)29(26,27)20-9-6-12-28-20/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,22,25) |
InChIKey: | TYBYSTDSEWDDKH-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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ACDLabs 12.01 | c1(cc2CCN(Cc2n1C(=O)NC(C)C)S(=O)(c3cccs3)=O)c4ccccc4 | CACTVS 3.385 | CC(C)NC(=O)n1c2CN(CCc2cc1c3ccccc3)[S](=O)(=O)c4sccc4 | OpenEye OEToolkits 2.0.6 | CC(C)NC(=O)n1c(cc2c1CN(CC2)S(=O)(=O)c3cccs3)c4ccccc4 |
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Name: | 2-phenyl-N-(propan-2-yl)-6-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxamide |