1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[(5-fluoranyl-2-methyl-phenyl)amino]ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[(5-fluoranyl-2-methyl-phenyl)amino]ethanone Openeye Name: 2-(5-fluoro-2-methyl-anilino)-1-(4-indan-5-ylsulfonylpiperazin-1-yl)ethanone CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-(5-fluoro-2-methylanilino)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(5-fluoro-2-methylanilino)ethanone Traditional Name: 2-(5-fluoro-2-methyl-anilino)-1-(4-indan-5-ylsulfonylpiperazino)ethanone Formula: C22H26FN3O3S MolecularWeight: 431.523543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=C(C=C(C=C1)F)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H26FN3O3S/c1-16-5-7-19(23)14-21(16)24-15-22(27)25-9-11-26(12-10-25)30(28,29)20-8-6-17-3-2-4-18(17)13-20/h5-8,13-14,24H,2-4,9-12,15H2,1H3