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

Systemtic Name: [5-azanyl-1-(4-bromophenyl)sulfonyl-pyrazol-3-yl] 4-tert-butylbenzoate Openeye Name: [5-amino-1-(4-bromophenyl)sulfonyl-pyrazol-3-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [5-amino-1-(4-bromophenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (5-amino-1-brosyl-pyrazol-3-yl) ester Formula: C20H20BrN3O4S MolecularWeight: 478.3595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O4S/c1-20(2,3)14-6-4-13(5-7-14)19(25)28-18-12-17(22)24(23-18)29(26,27)16-10-8-15(21)9-11-16/h4-12H,22H2,1-3H3