(3-methylquinoxalin-2-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (3-methylquinoxalin-2-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-mesitylsulfonylpyrrolidine-2-carboxylic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)OCC3=NC4=CC=CC=C4N=C3C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)OCC3=NC4=CC=CC=C4N=C3C)C

InChI

InChI=1S/C24H27N3O4S/c1-15-12-16(2)23(17(3)13-15)32(29,30)27-11-7-10-22(27)24(28)31-14-21-18(4)25-19-8-5-6-9-20(19)26-21/h5-6,8-9,12-13,22H,7,10-11,14H2,1-4H3