5-[3-(4-aminophenyl)-5-azanyl-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid hydrochloride

Systemtic Name: 5-[3-(4-aminophenyl)-5-azanyl-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid hydrochloride Openeye Name: 5-[5-amino-3-(4-aminophenyl)pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid hydrochloride CAS Name: 5-[5-amino-3-(4-aminophenyl)-1-pyrazolyl]-2-phenoxybenzenesulfonic acid hydrochloride IUPAC Name: 5-[5-amino-3-(4-aminophenyl)pyrazol-1-yl]-2-phenoxybenzenesulfonic acid hydrochloride Traditional Name: 5-[5-amino-3-(4-aminophenyl)pyrazol-1-yl]-2-phenoxy-besylic acid hydrochloride Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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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.Cl

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.Cl

InChI

InChI=1S/C21H18N4O4S.ClH/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);1H