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

Systemtic Name: methyl 3-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate Openeye Name: methyl 3-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)sulfamoyl]benzoate CAS Name: 3-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridinylmethyl)sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate Traditional Name: 3-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)sulfamoyl]benzoic acid methyl ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C26H25N3O5S/c1-3-18-9-10-24-21(12-18)13-22(25(30)28-24)17-29(16-19-6-5-11-27-15-19)35(32,33)23-8-4-7-20(14-23)26(31)34-2/h4-15H,3,16-17H2,1-2H3,(H,28,30)