[5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 4-propan-2-ylbenzoate

Systemtic Name: [5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 4-propan-2-ylbenzoate Openeye Name: [5-amino-1-(p-tolylsulfonyl)pyrazol-3-yl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid (5-amino-1-tosyl-pyrazol-3-yl) ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC=C(C=C3)C(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC=C(C=C3)C(C)C)N

InChI

InChI=1S/C20H21N3O4S/c1-13(2)15-6-8-16(9-7-15)20(24)27-19-12-18(21)23(22-19)28(25,26)17-10-4-14(3)5-11-17/h4-13H,21H2,1-3H3