[4-(2-naphthalen-1-ylethylsulfonylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-(2-naphthalen-1-ylethylsulfonylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[2-(1-naphthyl)ethylsulfonylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[2-(1-naphthalenyl)ethylsulfonylamino]-1-pyrazolyl]methyl ester IUPAC Name: [4-(2-naphthalen-1-ylethylsulfonylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[2-(1-naphthyl)ethylsulfonylamino]pyrazol-1-yl]methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NS(=O)(=O)CCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NS(=O)(=O)CCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H25N3O4S/c1-21(2,3)20(25)28-15-24-14-18(13-22-24)23-29(26,27)12-11-17-9-6-8-16-7-4-5-10-19(16)17/h4-10,13-14,23H,11-12,15H2,1-3H3