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

Systemtic Name: [5-azanyl-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] 3,4-dimethylbenzoate Openeye Name: [5-amino-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [5-amino-1-(4-fluorophenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-fluorophenyl)sulfonylpyrazol-3-yl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [5-amino-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] ester Formula: C18H16FN3O4S MolecularWeight: 389.400743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN3O4S/c1-11-3-4-13(9-12(11)2)18(23)26-17-10-16(20)22(21-17)27(24,25)15-7-5-14(19)6-8-15/h3-10H,20H2,1-2H3