ethyl 5-azanyl-3-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-4-carboxylate CAS Name: 5-amino-3-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-4-carboxylate Traditional Name: 5-amino-3-(brosylamino)-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C12H13BrN4O4S MolecularWeight: 389.22502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1NS(=O)(=O)C2=CC=C(C=C2)Br)N

Isomeric SMILES

CCOC(=O)C1=C(NN=C1NS(=O)(=O)C2=CC=C(C=C2)Br)N

InChI

InChI=1S/C12H13BrN4O4S/c1-2-21-12(18)9-10(14)15-16-11(9)17-22(19,20)8-5-3-7(13)4-6-8/h3-6H,2H2,1H3,(H4,14,15,16,17)