8-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-nitro-quinoline

Systemtic Name: 8-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-nitro-quinoline Openeye Name: 8-(4-indan-5-ylsulfonylpiperazin-1-yl)-5-nitro-quinoline CAS Name: 8-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-5-nitroquinoline IUPAC Name: 8-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-nitroquinoline Traditional Name: 8-(4-indan-5-ylsulfonylpiperazino)-5-nitro-quinoline Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5

InChI

InChI=1S/C22H22N4O4S/c27-26(28)20-8-9-21(22-19(20)5-2-10-23-22)24-11-13-25(14-12-24)31(29,30)18-7-6-16-3-1-4-17(16)15-18/h2,5-10,15H,1,3-4,11-14H2