butyl 4-[(3-tert-butyl-1-propan-2-yl-pyrazol-4-yl)sulfonylamino]benzoate

Systemtic Name: butyl 4-[(3-tert-butyl-1-propan-2-yl-pyrazol-4-yl)sulfonylamino]benzoate Openeye Name: butyl 4-[(3-tert-butyl-1-isopropyl-pyrazol-4-yl)sulfonylamino]benzoate CAS Name: 4-[(3-tert-butyl-1-propan-2-yl-4-pyrazolyl)sulfonylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate Traditional Name: 4-[(3-tert-butyl-1-isopropyl-pyrazol-4-yl)sulfonylamino]benzoic acid butyl ester Formula: C21H31N3O4S MolecularWeight: 421.55354

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4S/c1-7-8-13-28-20(25)16-9-11-17(12-10-16)23-29(26,27)18-14-24(15(2)3)22-19(18)21(4,5)6/h9-12,14-15,23H,7-8,13H2,1-6H3