methyl 4-[[2-(pyridin-3-ylmethylcarbamoyl)phenyl]sulfamoylmethyl]benzoate

Systemtic Name: methyl 4-[[2-(pyridin-3-ylmethylcarbamoyl)phenyl]sulfamoylmethyl]benzoate Openeye Name: methyl 4-[[2-(3-pyridylmethylcarbamoyl)phenyl]sulfamoylmethyl]benzoate CAS Name: 4-[[2-[oxo-(3-pyridinylmethylamino)methyl]phenyl]sulfamoylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(pyridin-3-ylmethylcarbamoyl)phenyl]sulfamoylmethyl]benzoate Traditional Name: 4-[[2-(3-pyridylmethylcarbamoyl)phenyl]sulfamoylmethyl]benzoic acid methyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H21N3O5S/c1-30-22(27)18-10-8-16(9-11-18)15-31(28,29)25-20-7-3-2-6-19(20)21(26)24-14-17-5-4-12-23-13-17/h2-13,25H,14-15H2,1H3,(H,24,26)