methyl (3R)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-tetralin-6-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-tetralin-6-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C21H23NO4S/c1-26-21(23)20-13-17-8-4-5-9-18(17)14-22(20)27(24,25)19-11-10-15-6-2-3-7-16(15)12-19/h4-5,8-12,20H,2-3,6-7,13-14H2,1H3/t20-/m1/s1