3-pyridin-3-ylpropyl 2-phenethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 2-phenethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 3-(3-pyridyl)propyl 2-phenethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-phenethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 2-phenethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-phenethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)CCC3=CC=CC=C3)C(=O)OCCCC4=CN=CC=C4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)CCC3=CC=CC=C3)C(=O)OCCCC4=CN=CC=C4

InChI

InChI=1S/C26H28N2O4S/c29-26(32-16-7-11-22-10-6-15-27-19-22)25-18-23-12-4-5-13-24(23)20-28(25)33(30,31)17-14-21-8-2-1-3-9-21/h1-6,8-10,12-13,15,19,25H,7,11,14,16-18,20H2