5-(5-azanyl-3-methyl-pyrazol-1-yl)-2-phenoxy-benzenesulfonate

Systemtic Name: 5-(5-azanyl-3-methyl-pyrazol-1-yl)-2-phenoxy-benzenesulfonate Openeye Name: 5-(5-amino-3-methyl-pyrazol-1-yl)-2-phenoxy-benzenesulfonate CAS Name: 5-(5-amino-3-methyl-1-pyrazolyl)-2-phenoxybenzenesulfonate IUPAC Name: 5-(5-amino-3-methylpyrazol-1-yl)-2-phenoxybenzenesulfonate Traditional Name: 5-(5-amino-3-methyl-pyrazol-1-yl)-2-phenoxy-besylate Formula: C16H14N3O4S- MolecularWeight: 344.36506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)N)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1)N)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c1-11-9-16(17)19(18-11)12-7-8-14(15(10-12)24(20,21)22)23-13-5-3-2-4-6-13/h2-10H,17H2,1H3,(H,20,21,22)/p-1