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

Systemtic Name: [5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 3,4,5-trimethoxybenzoate Openeye Name: [5-amino-1-(p-tolylsulfonyl)pyrazol-3-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (5-amino-1-tosyl-pyrazol-3-yl) ester Formula: C20H21N3O7S MolecularWeight: 447.46164

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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)OC)OC)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7S/c1-12-5-7-14(8-6-12)31(25,26)23-17(21)11-18(22-23)30-20(24)13-9-15(27-2)19(29-4)16(10-13)28-3/h5-11H,21H2,1-4H3