methyl 8-[(4-chlorophenyl)sulfonylamino]-4-(2-imidazol-1-ylethyl)octanoate

Systemtic Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-4-(2-imidazol-1-ylethyl)octanoate Openeye Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-4-(2-imidazol-1-ylethyl)octanoate CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[2-(1-imidazolyl)ethyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-4-(2-imidazol-1-ylethyl)octanoate Traditional Name: 8-[(4-chlorophenyl)sulfonylamino]-4-(2-imidazol-1-ylethyl)caprylic acid methyl ester Formula: C20H28ClN3O4S MolecularWeight: 441.97202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCN2C=CN=C2

Isomeric SMILES

COC(=O)CCC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCN2C=CN=C2

InChI

InChI=1S/C20H28ClN3O4S/c1-28-20(25)10-5-17(11-14-24-15-13-22-16-24)4-2-3-12-23-29(26,27)19-8-6-18(21)7-9-19/h6-9,13,15-17,23H,2-5,10-12,14H2,1H3