methyl 3-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]sulfamoyl]benzoate

Systemtic Name: methyl 3-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]sulfamoyl]benzoate Openeye Name: methyl 3-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]sulfamoyl]benzoate CAS Name: 3-[[3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]sulfamoyl]benzoate Traditional Name: 3-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]sulfamoyl]benzoic acid methyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OC)N3C=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OC)N3C=CC=N3

InChI

InChI=1S/C20H20N4O5S/c1-14(24-11-5-10-21-24)19(25)22-16-7-4-8-17(13-16)23-30(27,28)18-9-3-6-15(12-18)20(26)29-2/h3-14,23H,1-2H3,(H,22,25)