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

Systemtic Name: 4-[[[3-(azepan-1-ylsulfonyl)phenyl]amino]methylidene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one Openeye Name: 4-[[3-(azepan-1-ylsulfonyl)anilino]methylene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one CAS Name: 4-[[3-(1-azepanylsulfonyl)anilino]methylidene]-5-(hydroxymethyl)-2-methyl-3-pyridinone IUPAC Name: 4-[[3-(azepan-1-ylsulfonyl)anilino]methylidene]-5-(hydroxymethyl)-2-methylpyridin-3-one Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)anilino]methylene]-2-methyl-5-methylol-pyridin-3-one Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C1=O)CO

InChI

InChI=1S/C20H25N3O4S/c1-15-20(25)19(16(14-24)12-21-15)13-22-17-7-6-8-18(11-17)28(26,27)23-9-4-2-3-5-10-23/h6-8,11-13,22,24H,2-5,9-10,14H2,1H3