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

Systemtic Name: butyl 4-[[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylamino]benzoate Openeye Name: butyl 4-[(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonylamino]benzoate CAS Name: 4-[[3-tert-butyl-1-(phenylmethyl)-4-pyrazolyl]sulfonylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-benzyl-3-tert-butylpyrazol-4-yl)sulfonylamino]benzoate Traditional Name: 4-[(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonylamino]benzoic acid butyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S/c1-5-6-16-32-24(29)20-12-14-21(15-13-20)27-33(30,31)22-18-28(26-23(22)25(2,3)4)17-19-10-8-7-9-11-19/h7-15,18,27H,5-6,16-17H2,1-4H3