[5-azanyl-1-(4-bromophenyl)sulfonyl-pyrazol-3-yl] 2,5-bis(chloranyl)benzoate

Systemtic Name: [5-azanyl-1-(4-bromophenyl)sulfonyl-pyrazol-3-yl] 2,5-bis(chloranyl)benzoate Openeye Name: [5-amino-1-(4-bromophenyl)sulfonyl-pyrazol-3-yl] 2,5-dichlorobenzoate CAS Name: 2,5-dichlorobenzoic acid [5-amino-1-(4-bromophenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] 2,5-dichlorobenzoate Traditional Name: 2,5-dichlorobenzoic acid (5-amino-1-brosyl-pyrazol-3-yl) ester Formula: C16H10BrCl2N3O4S MolecularWeight: 491.1433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=C(C=CC(=C3)Cl)Cl)N)Br

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=C(C=CC(=C3)Cl)Cl)N)Br

InChI

InChI=1S/C16H10BrCl2N3O4S/c17-9-1-4-11(5-2-9)27(24,25)22-14(20)8-15(21-22)26-16(23)12-7-10(18)3-6-13(12)19/h1-8H,20H2