methyl 4-methyl-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]quinoline-3-carboxylic acid methyl ester Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

InChI

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