tert-butyl 4-[4-(4-azanylbutoxy)phenyl]sulfonyloxane-4-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-azanylbutoxy)phenyl]sulfonyloxane-4-carboxylate Openeye Name: tert-butyl 4-[4-(4-aminobutoxy)phenyl]sulfonyltetrahydropyran-4-carboxylate CAS Name: 4-[4-(4-aminobutoxy)phenyl]sulfonyl-4-oxanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-aminobutoxy)phenyl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-(4-aminobutoxy)phenyl]sulfonyltetrahydropyran-4-carboxylic acid tert-butyl ester Formula: C20H31NO6S MolecularWeight: 413.52824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCOCC1)S(=O)(=O)C2=CC=C(C=C2)OCCCCN

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCOCC1)S(=O)(=O)C2=CC=C(C=C2)OCCCCN

InChI

InChI=1S/C20H31NO6S/c1-19(2,3)27-18(22)20(10-14-25-15-11-20)28(23,24)17-8-6-16(7-9-17)26-13-5-4-12-21/h6-9H,4-5,10-15,21H2,1-3H3