(3-methoxyphenyl) 3-(5-azanyl-3-methyl-pyrazol-1-yl)-4-chloranyl-benzenesulfonate

Systemtic Name: (3-methoxyphenyl) 3-(5-azanyl-3-methyl-pyrazol-1-yl)-4-chloranyl-benzenesulfonate Openeye Name: (3-methoxyphenyl) 3-(5-amino-3-methyl-pyrazol-1-yl)-4-chloro-benzenesulfonate CAS Name: 3-(5-amino-3-methyl-1-pyrazolyl)-4-chlorobenzenesulfonic acid (3-methoxyphenyl) ester IUPAC Name: (3-methoxyphenyl) 3-(5-amino-3-methylpyrazol-1-yl)-4-chlorobenzenesulfonate Traditional Name: 3-(5-amino-3-methyl-pyrazol-1-yl)-4-chloro-benzenesulfonic acid (3-methoxyphenyl) ester Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)N)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC(=C3)OC)Cl

Isomeric SMILES

CC1=NN(C(=C1)N)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC(=C3)OC)Cl

InChI

InChI=1S/C17H16ClN3O4S/c1-11-8-17(19)21(20-11)16-10-14(6-7-15(16)18)26(22,23)25-13-5-3-4-12(9-13)24-2/h3-10H,19H2,1-2H3