ethyl 4-[3-[(R)-cyano-(4-methylphenyl)sulfonyl-methyl]quinoxalin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(R)-cyano-(4-methylphenyl)sulfonyl-methyl]quinoxalin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(R)-cyano(p-tolylsulfonyl)methyl]quinoxalin-2-yl]piperazine-1-carboxylate CAS Name: 4-[3-[(R)-cyano-(4-methylphenyl)sulfonylmethyl]-2-quinoxalinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(R)-cyano-(4-methylphenyl)sulfonylmethyl]quinoxalin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[(R)-cyano(tosyl)methyl]quinoxalin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C24H25N5O4S MolecularWeight: 479.5514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H25N5O4S/c1-3-33-24(30)29-14-12-28(13-15-29)23-22(26-19-6-4-5-7-20(19)27-23)21(16-25)34(31,32)18-10-8-17(2)9-11-18/h4-11,21H,3,12-15H2,1-2H3/t21-/m0/s1