ethyl 3-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperazin-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperazin-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-[4-(1,1-dimethylpropyl)phenyl]sulfonylpiperazin-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-1-piperazinyl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperazin-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(4-tert-amylphenyl)sulfonylpiperazino]quinoxaline-2-carboxylic acid ethyl ester Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(=O)OCC

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(=O)OCC

InChI

InChI=1S/C26H32N4O4S/c1-5-26(3,4)19-11-13-20(14-12-19)35(32,33)30-17-15-29(16-18-30)24-23(25(31)34-6-2)27-21-9-7-8-10-22(21)28-24/h7-14H,5-6,15-18H2,1-4H3