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

Systemtic Name: (2-methylphenyl) 3-(5-azanyl-3-methyl-pyrazol-1-yl)-4-chloranyl-benzenesulfonate Openeye Name: o-tolyl 3-(5-amino-3-methyl-pyrazol-1-yl)-4-chloro-benzenesulfonate CAS Name: 3-(5-amino-3-methyl-1-pyrazolyl)-4-chlorobenzenesulfonic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 3-(5-amino-3-methylpyrazol-1-yl)-4-chlorobenzenesulfonate Traditional Name: 3-(5-amino-3-methyl-pyrazol-1-yl)-4-chloro-benzenesulfonic acid o-tolyl ester Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OS(=O)(=O)C2=CC(=C(C=C2)Cl)N3C(=CC(=N3)C)N

Isomeric SMILES

CC1=CC=CC=C1OS(=O)(=O)C2=CC(=C(C=C2)Cl)N3C(=CC(=N3)C)N

InChI

InChI=1S/C17H16ClN3O3S/c1-11-5-3-4-6-16(11)24-25(22,23)13-7-8-14(18)15(10-13)21-17(19)9-12(2)20-21/h3-10H,19H2,1-2H3