(4-pyrazol-1-ylphenyl)methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyric acid (4-pyrazol-1-ylbenzyl) ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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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=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)N2C=CC=N2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H25N3O6S/c1-16(2)22(25-33(28,29)19-8-9-20-21(14-19)31-13-12-30-20)23(27)32-15-17-4-6-18(7-5-17)26-11-3-10-24-26/h3-11,14,16,22,25H,12-13,15H2,1-2H3/t22-/m0/s1