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

Systemtic Name: (4-chlorophenyl) 3-(5-azanyl-3-methyl-pyrazol-1-yl)-4-chloranyl-benzenesulfonate Openeye Name: (4-chlorophenyl) 3-(5-amino-3-methyl-pyrazol-1-yl)-4-chloro-benzenesulfonate CAS Name: 3-(5-amino-3-methyl-1-pyrazolyl)-4-chlorobenzenesulfonic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 3-(5-amino-3-methylpyrazol-1-yl)-4-chlorobenzenesulfonate Traditional Name: 3-(5-amino-3-methyl-pyrazol-1-yl)-4-chloro-benzenesulfonic acid (4-chlorophenyl) ester Formula: C16H13Cl2N3O3S MolecularWeight: 398.26372

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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=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2N3O3S/c1-10-8-16(19)21(20-10)15-9-13(6-7-14(15)18)25(22,23)24-12-4-2-11(17)3-5-12/h2-9H,19H2,1H3