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

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(1-naphthyl)-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-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-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-keto-2-(1-naphthyl)ethyl] ester Formula: C30H27NO5S MolecularWeight: 513.60408

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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=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H27NO5S/c1-21-13-15-24(16-14-21)37(34,35)31-18-17-23-8-3-5-11-26(23)28(31)19-30(33)36-20-29(32)27-12-6-9-22-7-2-4-10-25(22)27/h2-16,28H,17-20H2,1H3