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

Systemtic Name: methyl 4-[[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylamino]benzoate Openeye Name: methyl 4-[(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonylamino]benzoate CAS Name: 4-[[3-tert-butyl-1-(phenylmethyl)-4-pyrazolyl]sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-benzyl-3-tert-butylpyrazol-4-yl)sulfonylamino]benzoate Traditional Name: 4-[(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonylamino]benzoic acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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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)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4S/c1-22(2,3)20-19(15-25(23-20)14-16-8-6-5-7-9-16)30(27,28)24-18-12-10-17(11-13-18)21(26)29-4/h5-13,15,24H,14H2,1-4H3