(4-pyrazol-1-ylphenyl)methyl 3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-16(2)20(23-29(26,27)19-7-4-3-5-8-19)21(25)28-15-17-9-11-18(12-10-17)24-14-6-13-22-24/h3-14,16,20,23H,15H2,1-2H3