2-(hydroxymethyl)-4-[1-oxidanyl-2-[6-(4-thiophen-2-ylbutoxy)hexylamino]ethyl]phenol

Systemtic Name: 2-(hydroxymethyl)-4-[1-oxidanyl-2-[6-(4-thiophen-2-ylbutoxy)hexylamino]ethyl]phenol Openeye Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-[4-(2-thienyl)butoxy]hexylamino]ethyl]phenol CAS Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-thiophen-2-ylbutoxy)hexylamino]ethyl]phenol IUPAC Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-thiophen-2-ylbutoxy)hexylamino]ethyl]phenol Traditional Name: 4-[1-hydroxy-2-[6-[4-(2-thienyl)butoxy]hexylamino]ethyl]-2-methylol-phenol Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O

Isomeric SMILES

C1=CSC(=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O

InChI

InChI=1S/C23H35NO4S/c25-18-20-16-19(10-11-22(20)26)23(27)17-24-12-4-1-2-5-13-28-14-6-3-8-21-9-7-15-29-21/h7,9-11,15-16,23-27H,1-6,8,12-14,17-18H2