1-(2-chloranylquinolin-3-yl)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitro-phenyl]ethanol

Systemtic Name: 1-(2-chloranylquinolin-3-yl)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitro-phenyl]ethanol Openeye Name: 1-(2-chloro-3-quinolyl)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitro-phenyl]ethanol CAS Name: 1-(2-chloro-3-quinolinyl)-2-[5-[(4-methylsulfonyl-1-piperazinyl)methyl]-2-nitrophenyl]ethanol IUPAC Name: 1-(2-chloroquinolin-3-yl)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitrophenyl]ethanol Traditional Name: 1-(2-chloro-3-quinolyl)-2-[5-[(4-mesylpiperazino)methyl]-2-nitro-phenyl]ethanol Formula: C23H25ClN4O5S MolecularWeight: 504.9864

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)[N+](=O)[O-])CC(C3=CC4=CC=CC=C4N=C3Cl)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)[N+](=O)[O-])CC(C3=CC4=CC=CC=C4N=C3Cl)O

InChI

InChI=1S/C23H25ClN4O5S/c1-34(32,33)27-10-8-26(9-11-27)15-16-6-7-21(28(30)31)18(12-16)14-22(29)19-13-17-4-2-3-5-20(17)25-23(19)24/h2-7,12-13,22,29H,8-11,14-15H2,1H3