3-pyridin-3-ylpropyl 2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 3-(3-pyridyl)propyl 2-benzylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 2-benzylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-benzylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)CC3=CC=CC=C3)C(=O)OCCCC4=CN=CC=C4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)CC3=CC=CC=C3)C(=O)OCCCC4=CN=CC=C4

InChI

InChI=1S/C25H26N2O4S/c28-25(31-15-7-11-20-10-6-14-26-17-20)24-16-22-12-4-5-13-23(22)18-27(24)32(29,30)19-21-8-2-1-3-9-21/h1-6,8-10,12-14,17,24H,7,11,15-16,18-19H2