(3,3-dimethyl-2-oxidanylidene-butyl) 2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(2-naphthalenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H27NO5S/c1-26(2,3)24(28)17-32-25(29)23-15-20-10-6-7-11-21(20)16-27(23)33(30,31)22-13-12-18-8-4-5-9-19(18)14-22/h4-14,23H,15-17H2,1-3H3