(4-pyrazol-1-ylphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(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(C(=O)OCC1=CC=C(C=C1)N2C=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=C(C=C1)N2C=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H22N4O5S/c1-15(24-31(28,29)20-10-6-18(7-11-20)23-16(2)26)21(27)30-14-17-4-8-19(9-5-17)25-13-3-12-22-25/h3-13,15,24H,14H2,1-2H3,(H,23,26)/t15-/m0/s1