tert-butyl 4-[[5-(4-sulfamoylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-(4-sulfamoylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-(4-sulfamoylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[5-(4-sulfamoylphenyl)-2-pyrimidinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(4-sulfamoylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[5-(4-sulfamoylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H28N4O5S/c1-21(2,3)30-20(26)25-10-8-15(9-11-25)14-29-19-23-12-17(13-24-19)16-4-6-18(7-5-16)31(22,27)28/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,22,27,28)