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

Systemtic Name: methyl 2-(3-chloranylpropylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(3-chloropropylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(3-chloropropylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-chloropropylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(3-chloropropylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)CCCCl

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)CCCCl

InChI

InChI=1S/C14H18ClNO4S/c1-20-14(17)13-9-11-5-2-3-6-12(11)10-16(13)21(18,19)8-4-7-15/h2-3,5-6,13H,4,7-10H2,1H3