ethyl 2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanoate

Systemtic Name: ethyl 2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanoate Openeye Name: ethyl 2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(3-pyridylmethyl)pentanoate CAS Name: 2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(3-pyridinylmethyl)pentanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanoate Traditional Name: 2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(3-pyridylmethyl)valeric acid ethyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN=CC=C1)(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C(CC1=CN=CC=C1)(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H27NO5S/c1-5-27-20(23)21(13-16(2)3,14-17-7-6-12-22-15-17)28(24,25)19-10-8-18(26-4)9-11-19/h6-12,15-16H,5,13-14H2,1-4H3