[4-[3-(phenylsulfonyl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[3-(phenylsulfonyl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[3-(benzenesulfonyl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[3-(benzenesulfonyl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-(3-besylpropanoylamino)pyrazol-1-yl]methyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H23N3O5S/c1-18(2,3)17(23)26-13-21-12-14(11-19-21)20-16(22)9-10-27(24,25)15-7-5-4-6-8-15/h4-8,11-12H,9-10,13H2,1-3H3,(H,20,22)