tert-butyl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-iodanylpropyl)octanoate

Systemtic Name: tert-butyl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-iodanylpropyl)octanoate Openeye Name: tert-butyl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-iodopropyl)octanoate CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-4-(3-iodopropyl)octanoic acid tert-butyl ester IUPAC Name: tert-butyl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-iodopropyl)octanoate Traditional Name: 8-[(4-chlorophenyl)sulfonylamino]-4-(3-iodopropyl)caprylic acid tert-butyl ester Formula: C21H33ClINO4S MolecularWeight: 557.91349

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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)CCCI

Isomeric SMILES

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

InChI

InChI=1S/C21H33ClINO4S/c1-21(2,3)28-20(25)14-9-17(8-6-15-23)7-4-5-16-24-29(26,27)19-12-10-18(22)11-13-19/h10-13,17,24H,4-9,14-16H2,1-3H3