ethyl 4-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate

Systemtic Name: ethyl 4-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate Openeye Name: ethyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)sulfamoyl]benzoate CAS Name: 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridinylmethyl)sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate Traditional Name: 4-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)sulfamoyl]benzoic acid ethyl ester Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O5S/c1-4-35-27(32)21-7-9-24(10-8-21)36(33,34)30(16-20-6-5-11-28-15-20)17-23-14-22-12-18(2)19(3)13-25(22)29-26(23)31/h5-15H,4,16-17H2,1-3H3,(H,29,31)