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

Systemtic Name: ethyl 2-[4-[4-(4-chlorophenyl)sulfonyl-1-pyridin-3-yl-butan-2-yl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[3-(4-chlorophenyl)sulfonyl-1-(3-pyridylmethyl)propyl]phenoxy]acetate CAS Name: 2-[4-[4-(4-chlorophenyl)sulfonyl-1-(3-pyridinyl)butan-2-yl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-(4-chlorophenyl)sulfonyl-1-pyridin-3-ylbutan-2-yl]phenoxy]acetate Traditional Name: 2-[4-[3-(4-chlorophenyl)sulfonyl-1-(3-pyridylmethyl)propyl]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(CCS(=O)(=O)C2=CC=C(C=C2)Cl)CC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)C(CCS(=O)(=O)C2=CC=C(C=C2)Cl)CC3=CN=CC=C3

InChI

InChI=1S/C25H26ClNO5S/c1-2-31-25(28)18-32-23-9-5-20(6-10-23)21(16-19-4-3-14-27-17-19)13-15-33(29,30)24-11-7-22(26)8-12-24/h3-12,14,17,21H,2,13,15-16,18H2,1H3