ethyl 3-[[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylamino]benzoate

Systemtic Name: ethyl 3-[[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylamino]benzoate Openeye Name: ethyl 3-[[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylamino]benzoate CAS Name: 3-[[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylamino]benzoate Traditional Name: 3-[[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylamino]benzoic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=C3)C)C

InChI

InChI=1S/C20H21N3O4S/c1-4-27-20(24)16-6-5-7-17(11-16)23-28(25,26)19-12-15(9-8-13(19)2)18-10-14(3)21-22-18/h5-12,23H,4H2,1-3H3,(H,21,22)