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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(1-adamantylamino)-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-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-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-(1-adamantylamino)-2-keto-ethyl] ester Formula: C30H36N2O5S MolecularWeight: 536.68224

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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)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H36N2O5S/c1-20-6-8-25(9-7-20)38(35,36)32-11-10-24-4-2-3-5-26(24)27(32)15-29(34)37-19-28(33)31-30-16-21-12-22(17-30)14-23(13-21)18-30/h2-9,21-23,27H,10-19H2,1H3,(H,31,33)