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

Systemtic Name: [5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 4-tert-butylbenzoate Openeye Name: [5-amino-1-(p-tolylsulfonyl)pyrazol-3-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (5-amino-1-tosyl-pyrazol-3-yl) ester Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

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)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)C)N

InChI

InChI=1S/C21H23N3O4S/c1-14-5-11-17(12-6-14)29(26,27)24-18(22)13-19(23-24)28-20(25)15-7-9-16(10-8-15)21(2,3)4/h5-13H,22H2,1-4H3