[5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2-bromanylbenzoate

Systemtic Name: [5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2-bromanylbenzoate Openeye Name: [5-amino-1-(p-tolylsulfonyl)pyrazol-3-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid (5-amino-1-tosyl-pyrazol-3-yl) ester Formula: C17H14BrN3O4S MolecularWeight: 436.27976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC=CC=C3Br)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC=CC=C3Br)N

InChI

InChI=1S/C17H14BrN3O4S/c1-11-6-8-12(9-7-11)26(23,24)21-15(19)10-16(20-21)25-17(22)13-4-2-3-5-14(13)18/h2-10H,19H2,1H3