ethyl 5-(4-chlorophenyl)-2-(phenylsulfonyl)heptanoate

Systemtic Name: ethyl 5-(4-chlorophenyl)-2-(phenylsulfonyl)heptanoate Openeye Name: ethyl 2-(benzenesulfonyl)-5-(4-chlorophenyl)heptanoate CAS Name: 2-(benzenesulfonyl)-5-(4-chlorophenyl)heptanoic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonyl)-5-(4-chlorophenyl)heptanoate Traditional Name: 2-besyl-5-(4-chlorophenyl)enanthic acid ethyl ester Formula: C21H25ClO4S MolecularWeight: 408.9388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C(=O)OCC)S(=O)(=O)C1=CC=CC=C1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(CCC(C(=O)OCC)S(=O)(=O)C1=CC=CC=C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H25ClO4S/c1-3-16(17-10-13-18(22)14-11-17)12-15-20(21(23)26-4-2)27(24,25)19-8-6-5-7-9-19/h5-11,13-14,16,20H,3-4,12,15H2,1-2H3