ethyl 2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynoate

Systemtic Name: ethyl 2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynoate Openeye Name: ethyl 2-(4-methoxyphenyl)sulfonyl-2-(3-pyridylmethyl)pent-4-ynoate CAS Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-pyridinylmethyl)-4-pentynoic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynoate Traditional Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-pyridylmethyl)pent-4-ynoic acid ethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-4-12-20(19(22)26-5-2,14-16-7-6-13-21-15-16)27(23,24)18-10-8-17(25-3)9-11-18/h1,6-11,13,15H,5,12,14H2,2-3H3