[5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 4-methylbenzoate

Systemtic Name: [5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 4-methylbenzoate Openeye Name: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-amino-1-(benzenesulfonyl)-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (5-amino-1-besyl-pyrazol-3-yl) ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O4S/c1-12-7-9-13(10-8-12)17(21)24-16-11-15(18)20(19-16)25(22,23)14-5-3-2-4-6-14/h2-11H,18H2,1H3