(4-pyrazol-1-ylphenyl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butyric acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)N2C=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-16(2)21(24-31(27,28)20-11-9-19(29-3)10-12-20)22(26)30-15-17-5-7-18(8-6-17)25-14-4-13-23-25/h4-14,16,21,24H,15H2,1-3H3/t21-/m0/s1