N-[4-[2-(dimethylaminomethyl)phenoxy]-3-(hydroxymethyl)phenyl]-11-sulfanyl-undecanamide

Systemtic Name: N-[4-[2-(dimethylaminomethyl)phenoxy]-3-(hydroxymethyl)phenyl]-11-sulfanyl-undecanamide Openeye Name: N-[4-[2-(dimethylaminomethyl)phenoxy]-3-(hydroxymethyl)phenyl]-11-sulfanyl-undecanamide CAS Name: N-[4-[2-(dimethylaminomethyl)phenoxy]-3-(hydroxymethyl)phenyl]-11-mercaptoundecanamide IUPAC Name: N-[4-[2-(dimethylaminomethyl)phenoxy]-3-(hydroxymethyl)phenyl]-11-sulfanylundecanamide Traditional Name: N-[4-[2-(dimethylaminomethyl)phenoxy]-3-methylol-phenyl]-11-mercapto-undecanamide Formula: C27H40N2O3S MolecularWeight: 472.6831

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1OC2=C(C=C(C=C2)NC(=O)CCCCCCCCCCS)CO

Isomeric SMILES

CN(C)CC1=CC=CC=C1OC2=C(C=C(C=C2)NC(=O)CCCCCCCCCCS)CO

InChI

InChI=1S/C27H40N2O3S/c1-29(2)20-22-13-10-11-14-25(22)32-26-17-16-24(19-23(26)21-30)28-27(31)15-9-7-5-3-4-6-8-12-18-33/h10-11,13-14,16-17,19,30,33H,3-9,12,15,18,20-21H2,1-2H3,(H,28,31)