methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-morpholin-4-ylsulfonyl-pyridine-3-carboxylate

Systemtic Name: methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-morpholin-4-ylsulfonyl-pyridine-3-carboxylate Openeye Name: methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-morpholinosulfonyl-pyridine-3-carboxylate CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-morpholinylsulfonyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-morpholin-4-ylsulfonylpyridine-3-carboxylate Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-morpholinosulfonyl-nicotinic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)N2CCC3=CC=CC=C3C2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)N2CCC3=CC=CC=C3C2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H23N3O5S/c1-27-20(24)17-12-18(29(25,26)23-8-10-28-11-9-23)19(21-13-17)22-7-6-15-4-2-3-5-16(15)14-22/h2-5,12-13H,6-11,14H2,1H3