methyl 8-[(4-chlorophenyl)sulfonylamino]-7-phenyl-octanoate

Systemtic Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-7-phenyl-octanoate Openeye Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-7-phenyl-octanoate CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-7-phenyloctanoic acid methyl ester IUPAC Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-7-phenyloctanoate Traditional Name: 8-[(4-chlorophenyl)sulfonylamino]-7-phenyl-caprylic acid methyl ester Formula: C21H26ClNO4S MolecularWeight: 423.95344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCC(CNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCC(CNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC=CC=C2

InChI

InChI=1S/C21H26ClNO4S/c1-27-21(24)11-7-3-6-10-18(17-8-4-2-5-9-17)16-23-28(25,26)20-14-12-19(22)13-15-20/h2,4-5,8-9,12-15,18,23H,3,6-7,10-11,16H2,1H3