1-[4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-quinolin-8-yl-methyl]phenyl]ethanone

Systemtic Name: 1-[4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-quinolin-8-yl-methyl]phenyl]ethanone Openeye Name: 1-[4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(8-quinolyl)methyl]phenyl]ethanone CAS Name: 1-[4-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-(8-quinolinyl)methyl]phenyl]ethanone IUPAC Name: 1-[4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-quinolin-8-ylmethyl]phenyl]ethanone Traditional Name: 1-[4-[[4-(2-nitrophenyl)sulfonylpiperazino]-(8-quinolyl)methyl]phenyl]ethanone Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2N=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2N=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C28H26N4O5S/c1-20(33)21-11-13-23(14-12-21)28(24-8-4-6-22-7-5-15-29-27(22)24)30-16-18-31(19-17-30)38(36,37)26-10-3-2-9-25(26)32(34)35/h2-15,28H,16-19H2,1H3