N-ethyl-3-[4-(hydroxymethylsulfinylamino)phenyl]-2-[3-[(4-methylphenyl)methyl]phenoxy]-3-oxidanylidene-propanamide

Systemtic Name: N-ethyl-3-[4-(hydroxymethylsulfinylamino)phenyl]-2-[3-[(4-methylphenyl)methyl]phenoxy]-3-oxidanylidene-propanamide Openeye Name: N-ethyl-3-[4-(hydroxymethylsulfinylamino)phenyl]-3-oxo-2-[3-(p-tolylmethyl)phenoxy]propanamide CAS Name: N-ethyl-3-[4-(hydroxymethylsulfinylamino)phenyl]-2-[3-[(4-methylphenyl)methyl]phenoxy]-3-oxopropanamide IUPAC Name: N-ethyl-3-[4-(hydroxymethylsulfinylamino)phenyl]-2-[3-[(4-methylphenyl)methyl]phenoxy]-3-oxopropanamide Traditional Name: N-ethyl-3-keto-2-[3-(4-methylbenzyl)phenoxy]-3-[4-(methylolsulfinylamino)phenyl]propionamide Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C(=O)C1=CC=C(C=C1)NS(=O)CO)OC2=CC=CC(=C2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCNC(=O)C(C(=O)C1=CC=C(C=C1)NS(=O)CO)OC2=CC=CC(=C2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C26H28N2O5S/c1-3-27-26(31)25(24(30)21-11-13-22(14-12-21)28-34(32)17-29)33-23-6-4-5-20(16-23)15-19-9-7-18(2)8-10-19/h4-14,16,25,28-29H,3,15,17H2,1-2H3,(H,27,31)