[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 2-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(2-tosyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C26H24BrNO5S MolecularWeight: 542.44146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H24BrNO5S/c1-18-9-11-22(12-10-18)34(31,32)28-14-13-19-5-2-3-8-23(19)24(28)16-26(30)33-17-25(29)20-6-4-7-21(27)15-20/h2-12,15,24H,13-14,16-17H2,1H3