4-[[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]methylidene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one

Systemtic Name: 4-[[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]methylidene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one Openeye Name: 4-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)methylene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one CAS Name: 4-[[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]methylidene]-5-(hydroxymethyl)-2-methyl-3-pyridinone IUPAC Name: 4-[(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)methylidene]-5-(hydroxymethyl)-2-methylpyridin-3-one Traditional Name: 4-[(4-ethoxy-3-pyrrolidinosulfonyl-anilino)methylene]-2-methyl-5-methylol-pyridin-3-one Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC=C2C(=CN=C(C2=O)C)CO)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC=C2C(=CN=C(C2=O)C)CO)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H25N3O5S/c1-3-28-18-7-6-16(10-19(18)29(26,27)23-8-4-5-9-23)22-12-17-15(13-24)11-21-14(2)20(17)25/h6-7,10-12,22,24H,3-5,8-9,13H2,1-2H3