2-(hydroxymethyl)-N-[3-(3-phenylpropanoylamino)phenyl]sulfonyl-pyridine-4-carboxamide

Systemtic Name: 2-(hydroxymethyl)-N-[3-(3-phenylpropanoylamino)phenyl]sulfonyl-pyridine-4-carboxamide Openeye Name: 2-(hydroxymethyl)-N-[3-(3-phenylpropanoylamino)phenyl]sulfonyl-pyridine-4-carboxamide CAS Name: 2-(hydroxymethyl)-N-[3-[(1-oxo-3-phenylpropyl)amino]phenyl]sulfonyl-4-pyridinecarboxamide IUPAC Name: 2-(hydroxymethyl)-N-[3-(3-phenylpropanoylamino)phenyl]sulfonylpyridine-4-carboxamide Traditional Name: N-[3-(hydrocinnamoylamino)phenyl]sulfonyl-2-methylol-isonicotinamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC(=O)C3=CC(=NC=C3)CO

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC(=O)C3=CC(=NC=C3)CO

InChI

InChI=1S/C22H21N3O5S/c26-15-19-13-17(11-12-23-19)22(28)25-31(29,30)20-8-4-7-18(14-20)24-21(27)10-9-16-5-2-1-3-6-16/h1-8,11-14,26H,9-10,15H2,(H,24,27)(H,25,28)