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

Systemtic Name: 3-[(E)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitro-phenyl]ethenyl]-1H-quinolin-2-one Openeye Name: 3-[(E)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitro-phenyl]vinyl]-1H-quinolin-2-one CAS Name: 3-[(E)-2-[5-[(4-methylsulfonyl-1-piperazinyl)methyl]-2-nitrophenyl]ethenyl]-1H-quinolin-2-one IUPAC Name: 3-[(E)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitrophenyl]ethenyl]-1H-quinolin-2-one Traditional Name: 3-[(E)-2-[5-[(4-mesylpiperazino)methyl]-2-nitro-phenyl]vinyl]carbostyril Formula: C23H24N4O5S MolecularWeight: 468.52546

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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=C4NC3=O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)[N+](=O)[O-])/C=C/C3=CC4=CC=CC=C4NC3=O

InChI

InChI=1S/C23H24N4O5S/c1-33(31,32)26-12-10-25(11-13-26)16-17-6-9-22(27(29)30)19(14-17)7-8-20-15-18-4-2-3-5-21(18)24-23(20)28/h2-9,14-15H,10-13,16H2,1H3,(H,24,28)/b8-7+