ethyl 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(p-tolylsulfonyl)quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-(4-methylphenyl)sulfonyl-2-quinoxalinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-(3-tosylquinoxalin-2-yl)isonipecotic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H25N3O4S/c1-3-30-23(27)17-12-14-26(15-13-17)21-22(25-20-7-5-4-6-19(20)24-21)31(28,29)18-10-8-16(2)9-11-18/h4-11,17H,3,12-15H2,1-2H3