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

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[(3-pyrrolidin-1-ylsulfonylphenyl)amino]methylidene]pyridin-3-one Openeye Name: 5-(hydroxymethyl)-2-methyl-4-[(3-pyrrolidin-1-ylsulfonylanilino)methylene]pyridin-3-one CAS Name: 5-(hydroxymethyl)-2-methyl-4-[[3-(1-pyrrolidinylsulfonyl)anilino]methylidene]-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-[(3-pyrrolidin-1-ylsulfonylanilino)methylidene]pyridin-3-one Traditional Name: 2-methyl-5-methylol-4-[(3-pyrrolidinosulfonylanilino)methylene]pyridin-3-one Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C1=O)CO

InChI

InChI=1S/C18H21N3O4S/c1-13-18(23)17(14(12-22)10-19-13)11-20-15-5-4-6-16(9-15)26(24,25)21-7-2-3-8-21/h4-6,9-11,20,22H,2-3,7-8,12H2,1H3