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

Systemtic Name: [5-azanyl-1-(4-bromophenyl)sulfonyl-pyrazol-3-yl] 4-methylbenzoate Openeye Name: [5-amino-1-(4-bromophenyl)sulfonyl-pyrazol-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-amino-1-(4-bromophenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (5-amino-1-brosyl-pyrazol-3-yl) ester Formula: C17H14BrN3O4S MolecularWeight: 436.27976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

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