5-[3-(4-aminophenyl)-5-azanyl-pyrazol-1-yl]-2-phenoxy-benzenesulfonate

Systemtic Name: 5-[3-(4-aminophenyl)-5-azanyl-pyrazol-1-yl]-2-phenoxy-benzenesulfonate Openeye Name: 5-[5-amino-3-(4-aminophenyl)pyrazol-1-yl]-2-phenoxy-benzenesulfonate CAS Name: 5-[5-amino-3-(4-aminophenyl)-1-pyrazolyl]-2-phenoxybenzenesulfonate IUPAC Name: 5-[5-amino-3-(4-aminophenyl)pyrazol-1-yl]-2-phenoxybenzenesulfonate Traditional Name: 5-[5-amino-3-(4-aminophenyl)pyrazol-1-yl]-2-phenoxy-besylate Formula: C21H17N4O4S- MolecularWeight: 421.44908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2)N3C(=CC(=N3)C4=CC=C(C=C4)N)N)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2)N3C(=CC(=N3)C4=CC=C(C=C4)N)N)S(=O)(=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c22-15-8-6-14(7-9-15)18-13-21(23)25(24-18)16-10-11-19(20(12-16)30(26,27)28)29-17-4-2-1-3-5-17/h1-13H,22-23H2,(H,26,27,28)/p-1