[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-ethyl] (2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-tosylpyrrolidine-2-carboxylic acid [2-keto-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl] ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1C(=O)COC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

C[C@@H]1CCC2=CC=CC=C2N1C(=O)COC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H28N2O5S/c1-17-9-13-20(14-10-17)32(29,30)25-15-5-8-22(25)24(28)31-16-23(27)26-18(2)11-12-19-6-3-4-7-21(19)26/h3-4,6-7,9-10,13-14,18,22H,5,8,11-12,15-16H2,1-2H3/t18-,22+/m1/s1