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

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[(4-fluoranyl-3-nitro-phenyl)amino]ethanone Openeye Name: 2-(4-fluoro-3-nitro-anilino)-1-(4-indan-5-ylsulfonylpiperazin-1-yl)ethanone CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-(4-fluoro-3-nitroanilino)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(4-fluoro-3-nitroanilino)ethanone Traditional Name: 2-(4-fluoro-3-nitro-anilino)-1-(4-indan-5-ylsulfonylpiperazino)ethanone Formula: C21H23FN4O5S MolecularWeight: 462.494523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CNC4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CNC4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN4O5S/c22-19-7-5-17(13-20(19)26(28)29)23-14-21(27)24-8-10-25(11-9-24)32(30,31)18-6-4-15-2-1-3-16(15)12-18/h4-7,12-13,23H,1-3,8-11,14H2