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

Systemtic Name: 3-[(E)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitro-phenyl]ethenyl]quinoline Openeye Name: 3-[(E)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitro-phenyl]vinyl]quinoline CAS Name: 3-[(E)-2-[5-[(4-methylsulfonyl-1-piperazinyl)methyl]-2-nitrophenyl]ethenyl]quinoline IUPAC Name: 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]quinoline Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)[N+](=O)[O-])C=CC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O4S/c1-32(30,31)26-12-10-25(11-13-26)17-19-7-9-23(27(28)29)21(15-19)8-6-18-14-20-4-2-3-5-22(20)24-16-18/h2-9,14-16H,10-13,17H2,1H3/b8-6+