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

Systemtic Name: [5-azanyl-1-(4-bromophenyl)sulfonyl-pyrazol-3-yl] 4-methoxybenzoate Openeye Name: [5-amino-1-(4-bromophenyl)sulfonyl-pyrazol-3-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [5-amino-1-(4-bromophenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate Traditional Name: 4-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=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

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