ethyl 3-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate

Systemtic Name: ethyl 3-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate Openeye Name: ethyl 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)sulfamoyl]benzoate CAS Name: 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridinylmethyl)sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate Traditional Name: 3-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)sulfamoyl]benzoic acid ethyl ester Formula: C27H27N3O7S MolecularWeight: 537.58418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CC2=CN=CC=C2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CC2=CN=CC=C2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

InChI

InChI=1S/C27H27N3O7S/c1-4-37-27(32)19-8-5-9-22(12-19)38(33,34)30(16-18-7-6-10-28-15-18)17-21-11-20-13-24(35-2)25(36-3)14-23(20)29-26(21)31/h5-15H,4,16-17H2,1-3H3,(H,29,31)