ethyl 4-methyl-2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C24H26N4O6S/c1-3-34-24(29)23-17(2)20-9-4-5-10-21(20)25-22(23)16-26-11-13-27(14-12-26)35(32,33)19-8-6-7-18(15-19)28(30)31/h4-10,15H,3,11-14,16H2,1-2H3