[5-azanyl-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [5-azanyl-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] 3,4,5-trimethoxybenzoate Openeye Name: [5-amino-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [5-amino-1-(4-fluorophenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-fluorophenyl)sulfonylpyrazol-3-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [5-amino-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] ester Formula: C19H18FN3O7S MolecularWeight: 451.425523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FN3O7S/c1-27-14-8-11(9-15(28-2)18(14)29-3)19(24)30-17-10-16(21)23(22-17)31(25,26)13-6-4-12(20)5-7-13/h4-10H,21H2,1-3H3