ethyl 4-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate

Systemtic Name: ethyl 4-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate Openeye Name: ethyl 4-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)sulfamoyl]benzoate CAS Name: 4-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridinylmethyl)sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate Traditional Name: 4-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)sulfamoyl]benzoic acid ethyl ester Formula: C27H27N3O6S MolecularWeight: 521.58478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C27H27N3O6S/c1-3-35-23-9-12-25-21(15-23)14-22(26(31)29-25)18-30(17-19-6-5-13-28-16-19)37(33,34)24-10-7-20(8-11-24)27(32)36-4-2/h5-16H,3-4,17-18H2,1-2H3,(H,29,31)