(5-azanyl-1-methylsulfonyl-pyrazol-3-yl) 4-propan-2-ylbenzoate

Systemtic Name: (5-azanyl-1-methylsulfonyl-pyrazol-3-yl) 4-propan-2-ylbenzoate Openeye Name: (5-amino-1-methylsulfonyl-pyrazol-3-yl) 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid (5-amino-1-methylsulfonyl-3-pyrazolyl) ester IUPAC Name: (5-amino-1-methylsulfonylpyrazol-3-yl) 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid (5-amino-1-mesyl-pyrazol-3-yl) ester Formula: C14H17N3O4S MolecularWeight: 323.36748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4S/c1-9(2)10-4-6-11(7-5-10)14(18)21-13-8-12(15)17(16-13)22(3,19)20/h4-9H,15H2,1-3H3