2-methoxy-3-[(E)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitro-phenyl]ethenyl]quinoline

Systemtic Name: 2-methoxy-3-[(E)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitro-phenyl]ethenyl]quinoline Openeye Name: 2-methoxy-3-[(E)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitro-phenyl]vinyl]quinoline CAS Name: 2-methoxy-3-[(E)-2-[5-[(4-methylsulfonyl-1-piperazinyl)methyl]-2-nitrophenyl]ethenyl]quinoline IUPAC Name: 2-methoxy-3-[(E)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitrophenyl]ethenyl]quinoline Traditional Name: 3-[(E)-2-[5-[(4-mesylpiperazino)methyl]-2-nitro-phenyl]vinyl]-2-methoxy-quinoline Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CC=CC=C2C=C1C=CC3=C(C=CC(=C3)CN4CCN(CC4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=NC2=CC=CC=C2C=C1/C=C/C3=C(C=CC(=C3)CN4CCN(CC4)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O5S/c1-33-24-21(16-19-5-3-4-6-22(19)25-24)9-8-20-15-18(7-10-23(20)28(29)30)17-26-11-13-27(14-12-26)34(2,31)32/h3-10,15-16H,11-14,17H2,1-2H3/b9-8+