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

Systemtic Name: [5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 4-methylbenzoate Openeye Name: [5-amino-1-(p-tolylsulfonyl)pyrazol-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (5-amino-1-tosyl-pyrazol-3-yl) ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-12-3-7-14(8-4-12)18(22)25-17-11-16(19)21(20-17)26(23,24)15-9-5-13(2)6-10-15/h3-11H,19H2,1-2H3