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

Systemtic Name: ethyl 3-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-(4-butylphenyl)sulfonyl-1-piperazinyl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(4-butylphenyl)sulfonylpiperazino]quinoxaline-2-carboxylic acid ethyl ester Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(=O)OCC

InChI

InChI=1S/C25H30N4O4S/c1-3-5-8-19-11-13-20(14-12-19)34(31,32)29-17-15-28(16-18-29)24-23(25(30)33-4-2)26-21-9-6-7-10-22(21)27-24/h6-7,9-14H,3-5,8,15-18H2,1-2H3