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

Systemtic Name: methyl 2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-benzylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-benzylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H19NO4S/c1-23-18(20)17-11-15-9-5-6-10-16(15)12-19(17)24(21,22)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3