[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 1-(4-isopropylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-cumenylsulfonylisonipecotic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H32N2O5S/c1-19(2)20-7-9-24(10-8-20)34(31,32)28-15-12-22(13-16-28)26(30)33-18-25(29)27-14-11-21-5-3-4-6-23(21)17-27/h3-10,19,22H,11-18H2,1-2H3