ethyl 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S/c1-2-31-24(28)20-7-9-22(10-8-20)32(29,30)26-15-12-19(13-16-26)23(27)25-14-11-18-5-3-4-6-21(18)17-25/h3-10,19H,2,11-17H2,1H3