(3-methylquinoxalin-2-yl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-methylquinoxalin-2-yl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC4=CC=CC=C4N=C3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC4=CC=CC=C4N=C3C)C

InChI

InChI=1S/C24H27N3O4S/c1-16-8-9-20(14-17(16)2)32(29,30)27-12-10-19(11-13-27)24(28)31-15-23-18(3)25-21-6-4-5-7-22(21)26-23/h4-9,14,19H,10-13,15H2,1-3H3