(3-methylquinoxalin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-methylquinoxalin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxylic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC4=CC=CC=C4N=C3C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC4=CC=CC=C4N=C3C)C)C

InChI

InChI=1S/C26H31N3O4S/c1-16-14-17(2)19(4)25(18(16)3)34(31,32)29-12-10-21(11-13-29)26(30)33-15-24-20(5)27-22-8-6-7-9-23(22)28-24/h6-9,14,21H,10-13,15H2,1-5H3