[(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoic acid [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoic acid [(1R)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C27H27NO6S MolecularWeight: 493.57138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C27H27NO6S/c1-18-10-12-21(13-11-18)26(29)19(2)34-27(30)22-14-15-24(33-3)25(17-22)35(31,32)28-16-6-8-20-7-4-5-9-23(20)28/h4-5,7,9-15,17,19H,6,8,16H2,1-3H3/t19-/m1/s1