ethyl 2-[4-[1-(4-chlorophenyl)sulfonyl-4-pyridin-3-yl-butyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[1-(4-chlorophenyl)sulfonyl-4-pyridin-3-yl-butyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[1-(4-chlorophenyl)sulfonyl-4-(3-pyridyl)butyl]phenoxy]acetate CAS Name: 2-[4-[1-(4-chlorophenyl)sulfonyl-4-(3-pyridinyl)butyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylbutyl]phenoxy]acetate Traditional Name: 2-[4-[1-(4-chlorophenyl)sulfonyl-4-(3-pyridyl)butyl]phenoxy]acetic acid ethyl ester Formula: C25H26ClNO5S MolecularWeight: 487.99564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=C(C=C1)C(CCCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)C(CCCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H26ClNO5S/c1-2-31-25(28)18-32-22-12-8-20(9-13-22)24(7-3-5-19-6-4-16-27-17-19)33(29,30)23-14-10-21(26)11-15-23/h4,6,8-17,24H,2-3,5,7,18H2,1H3