ethyl 4-[[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylamino]benzoate

Systemtic Name: ethyl 4-[[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylamino]benzoate Openeye Name: ethyl 4-[(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonylamino]benzoate CAS Name: 4-[[3-tert-butyl-1-(phenylmethyl)-4-pyrazolyl]sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzyl-3-tert-butylpyrazol-4-yl)sulfonylamino]benzoate Traditional Name: 4-[(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonylamino]benzoic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4S/c1-5-30-22(27)18-11-13-19(14-12-18)25-31(28,29)20-16-26(24-21(20)23(2,3)4)15-17-9-7-6-8-10-17/h6-14,16,25H,5,15H2,1-4H3