1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(2,4-dimethylquinolin-3-yl)ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(2,4-dimethylquinolin-3-yl)ethanone Openeye Name: 2-(2,4-dimethyl-3-quinolyl)-1-(4-indan-5-ylsulfonylpiperazin-1-yl)ethanone CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-(2,4-dimethyl-3-quinolinyl)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(2,4-dimethylquinolin-3-yl)ethanone Traditional Name: 2-(2,4-dimethyl-3-quinolyl)-1-(4-indan-5-ylsulfonylpiperazino)ethanone Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

InChI

InChI=1S/C26H29N3O3S/c1-18-23-8-3-4-9-25(23)27-19(2)24(18)17-26(30)28-12-14-29(15-13-28)33(31,32)22-11-10-20-6-5-7-21(20)16-22/h3-4,8-11,16H,5-7,12-15,17H2,1-2H3