[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(2-naphthylamino)-2-oxo-ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(2-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-keto-2-(2-naphthylamino)ethyl] ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H22N2O5S/c1-31(28,29)25-14-19-9-5-4-8-18(19)13-21(25)23(27)30-15-22(26)24-20-11-10-16-6-2-3-7-17(16)12-20/h2-12,21H,13-15H2,1H3,(H,24,26)