[5-azanyl-1-(4-bromophenyl)sulfonyl-pyrazol-3-yl] 2-methoxybenzoate

Systemtic Name: [5-azanyl-1-(4-bromophenyl)sulfonyl-pyrazol-3-yl] 2-methoxybenzoate Openeye Name: [5-amino-1-(4-bromophenyl)sulfonyl-pyrazol-3-yl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid [5-amino-1-(4-bromophenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid (5-amino-1-brosyl-pyrazol-3-yl) ester Formula: C17H14BrN3O5S MolecularWeight: 452.27916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrN3O5S/c1-25-14-5-3-2-4-13(14)17(22)26-16-10-15(19)21(20-16)27(23,24)12-8-6-11(18)7-9-12/h2-10H,19H2,1H3