methyl 7-(phenylsulfonylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 7-(phenylsulfonylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl 7-(benzenesulfonylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-(benzenesulfonylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 7-(benzenesulfonylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-(besylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC2=C(C1)C=C(C=C2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)N1CCC2=C(C1)C=C(C=C2)CS(=O)(=O)C3=CC=CC=C3

InChI

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