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

Systemtic Name: ethyl 3-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-(3-cyanophenyl)sulfonyl-1-piperazinyl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(3-cyanophenyl)sulfonylpiperazino]quinoxaline-2-carboxylic acid ethyl ester Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H21N5O4S/c1-2-31-22(28)20-21(25-19-9-4-3-8-18(19)24-20)26-10-12-27(13-11-26)32(29,30)17-7-5-6-16(14-17)15-23/h3-9,14H,2,10-13H2,1H3