methyl 2-cyano-2-[3-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-[3-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]-2-quinoxalinyl]-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-[3-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-[4-(3-acetylphenyl)sulfonylpiperazino]quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C24H23N5O5S MolecularWeight: 493.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC

InChI

InChI=1S/C24H23N5O5S/c1-16(30)17-6-5-7-18(14-17)35(32,33)29-12-10-28(11-13-29)23-22(19(15-25)24(31)34-2)26-20-8-3-4-9-21(20)27-23/h3-9,14,19H,10-13H2,1-2H3