[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-oxo-1,2-bis(p-tolyl)ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [1,2-bis(4-methylphenyl)-2-oxoethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C32H29NO5S MolecularWeight: 539.64136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C32H29NO5S/c1-22-7-11-25(12-8-22)30(34)31(26-13-9-23(2)10-14-26)38-32(35)27-15-17-29(18-16-27)39(36,37)33-20-19-24-5-3-4-6-28(24)21-33/h3-18,31H,19-21H2,1-2H3