methyl 3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-5-ethyl-1-propyl-pyrazole-4-carboxylate

Systemtic Name: methyl 3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-5-ethyl-1-propyl-pyrazole-4-carboxylate Openeye Name: methyl 3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-5-ethyl-1-propyl-pyrazole-4-carboxylate CAS Name: 3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-5-ethyl-1-propyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-5-ethyl-1-propylpyrazole-4-carboxylate Traditional Name: 3-[4-[2-(tert-butylsulfamoyl)phenyl]benzyl]-5-ethyl-1-propyl-pyrazole-4-carboxylic acid methyl ester Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(C)(C)C)C(=O)OC)CC

Isomeric SMILES

CCCN1C(=C(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(C)(C)C)C(=O)OC)CC

InChI

InChI=1S/C27H35N3O4S/c1-7-17-30-23(8-2)25(26(31)34-6)22(28-30)18-19-13-15-20(16-14-19)21-11-9-10-12-24(21)35(32,33)29-27(3,4)5/h9-16,29H,7-8,17-18H2,1-6H3