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

Systemtic Name: [5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 4-tert-butylbenzoate Openeye Name: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [5-amino-1-(benzenesulfonyl)-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (5-amino-1-besyl-pyrazol-3-yl) ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-20(2,3)15-11-9-14(10-12-15)19(24)27-18-13-17(21)23(22-18)28(25,26)16-7-5-4-6-8-16/h4-13H,21H2,1-3H3