ethyl 5-azanyl-3-[(4-bromophenyl)sulfonylamino]-1-(2-hydroxyethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(4-bromophenyl)sulfonylamino]-1-(2-hydroxyethyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-[(4-bromophenyl)sulfonylamino]-1-(2-hydroxyethyl)pyrazole-4-carboxylate CAS Name: 5-amino-3-[(4-bromophenyl)sulfonylamino]-1-(2-hydroxyethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-bromophenyl)sulfonylamino]-1-(2-hydroxyethyl)pyrazole-4-carboxylate Traditional Name: 5-amino-3-(brosylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C14H17BrN4O5S MolecularWeight: 433.27758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN4O5S/c1-2-24-14(21)11-12(16)19(7-8-20)17-13(11)18-25(22,23)10-5-3-9(15)4-6-10/h3-6,20H,2,7-8,16H2,1H3,(H,17,18)