(4-pyrazol-1-ylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H22N4O5S/c1-16(26)24-18-5-9-20(10-6-18)31(28,29)23-13-11-21(27)30-15-17-3-7-19(8-4-17)25-14-2-12-22-25/h2-10,12,14,23H,11,13,15H2,1H3,(H,24,26)