tert-butyl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoate

Systemtic Name: tert-butyl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoate Openeye Name: tert-butyl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoate CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(1-imidazolyl)propyl]octanoic acid tert-butyl ester IUPAC Name: tert-butyl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoate Traditional Name: 8-[(4-chlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)caprylic acid tert-butyl ester Formula: C24H36ClN3O4S MolecularWeight: 498.07834

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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)CCCN2C=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)CCC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCCN2C=CN=C2

InChI

InChI=1S/C24H36ClN3O4S/c1-24(2,3)32-23(29)14-9-20(8-6-17-28-18-16-26-19-28)7-4-5-15-27-33(30,31)22-12-10-21(25)11-13-22/h10-13,16,18-20,27H,4-9,14-15,17H2,1-3H3