[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)C)C

InChI

InChI=1S/C27H27NO5S/c1-18-15-20(3)24(16-19(18)2)26(29)17-33-27(30)22-10-12-23(13-11-22)34(31,32)28-14-6-8-21-7-4-5-9-25(21)28/h4-5,7,9-13,15-16H,6,8,14,17H2,1-3H3