methyl 4-[(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylamino]benzoate

Systemtic Name: methyl 4-[(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylamino]benzoate Openeye Name: methyl 4-[(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylamino]benzoate CAS Name: 4-[(3-tert-butyl-1-phenyl-4-pyrazolyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylamino]benzoate Traditional Name: 4-[(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylamino]benzoic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-21(2,3)19-18(14-24(22-19)17-8-6-5-7-9-17)29(26,27)23-16-12-10-15(11-13-16)20(25)28-4/h5-14,23H,1-4H3