[5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 2-bromanylbenzoate

Systemtic Name: [5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 2-bromanylbenzoate Openeye Name: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [5-amino-1-(benzenesulfonyl)-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid (5-amino-1-besyl-pyrazol-3-yl) ester Formula: C16H12BrN3O4S MolecularWeight: 422.25318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC=CC=C3Br)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC=CC=C3Br)N

InChI

InChI=1S/C16H12BrN3O4S/c17-13-9-5-4-8-12(13)16(21)24-15-10-14(18)20(19-15)25(22,23)11-6-2-1-3-7-11/h1-10H,18H2