2-adamantyl 1-propan-2-ylsulfonylspiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]-1'-carboxylate

Systemtic Name: 2-adamantyl 1-propan-2-ylsulfonylspiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]-1'-carboxylate Openeye Name: 2-adamantyl 1-isopropylsulfonylspiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]-1'-carboxylate CAS Name: 1-propan-2-ylsulfonyl-1'-spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]carboxylic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 1-propan-2-ylsulfonylspiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]-1'-carboxylate Traditional Name: 1-isopropylsulfonylspiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]-1'-carboxylic acid 2-adamantyl ester Formula: C27H38N2O4S MolecularWeight: 486.66662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1C2=CC=CC=C2C3(CCN(CC3)C(=O)OC4C5CC6CC(C5)CC4C6)CN1

Isomeric SMILES

CC(C)S(=O)(=O)C1C2=CC=CC=C2C3(CCN(CC3)C(=O)OC4C5CC6CC(C5)CC4C6)CN1

InChI

InChI=1S/C27H38N2O4S/c1-17(2)34(31,32)25-22-5-3-4-6-23(22)27(16-28-25)7-9-29(10-8-27)26(30)33-24-20-12-18-11-19(14-20)15-21(24)13-18/h3-6,17-21,24-25,28H,7-16H2,1-2H3