tert-butyl 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(oxan-2-yloxy)propyl]octanoate

Systemtic Name: tert-butyl 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(oxan-2-yloxy)propyl]octanoate Openeye Name: tert-butyl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-tetrahydropyran-2-yloxypropyl)octanoate CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(2-oxanyloxy)propyl]octanoic acid tert-butyl ester IUPAC Name: tert-butyl 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(oxan-2-yloxy)propyl]octanoate Traditional Name: 8-[(4-chlorophenyl)sulfonylamino]-4-(3-tetrahydropyran-2-yloxypropyl)caprylic acid tert-butyl ester Formula: C26H42ClNO6S MolecularWeight: 532.13278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCCOC2CCCCO2

Isomeric SMILES

CC(C)(C)OC(=O)CCC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCCOC2CCCCO2

InChI

InChI=1S/C26H42ClNO6S/c1-26(2,3)34-24(29)17-12-21(10-8-20-33-25-11-5-7-19-32-25)9-4-6-18-28-35(30,31)23-15-13-22(27)14-16-23/h13-16,21,25,28H,4-12,17-20H2,1-3H3