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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(2-besyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C29H34N2O5S MolecularWeight: 522.65566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H34N2O5S/c32-27(30-29-16-20-12-21(17-29)14-22(13-20)18-29)19-36-28(33)15-26-25-9-5-4-6-23(25)10-11-31(26)37(34,35)24-7-2-1-3-8-24/h1-9,20-22,26H,10-19H2,(H,30,32)