2-(hydroxymethyl)-4-[2-[[2-methyl-7-(2-thiophen-2-ylethoxy)heptan-2-yl]amino]-1-oxidanyl-ethyl]phenol

Systemtic Name: 2-(hydroxymethyl)-4-[2-[[2-methyl-7-(2-thiophen-2-ylethoxy)heptan-2-yl]amino]-1-oxidanyl-ethyl]phenol Openeye Name: 4-[2-[[1,1-dimethyl-6-[2-(2-thienyl)ethoxy]hexyl]amino]-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol CAS Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[[2-methyl-7-(2-thiophen-2-ylethoxy)heptan-2-yl]amino]ethyl]phenol IUPAC Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[[2-methyl-7-(2-thiophen-2-ylethoxy)heptan-2-yl]amino]ethyl]phenol Traditional Name: 4-[2-[[1,1-dimethyl-6-[2-(2-thienyl)ethoxy]hexyl]amino]-1-hydroxy-ethyl]-2-methylol-phenol Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCOCCC1=CC=CS1)NCC(C2=CC(=C(C=C2)O)CO)O

Isomeric SMILES

CC(C)(CCCCCOCCC1=CC=CS1)NCC(C2=CC(=C(C=C2)O)CO)O

InChI

InChI=1S/C23H35NO4S/c1-23(2,11-4-3-5-12-28-13-10-20-7-6-14-29-20)24-16-22(27)18-8-9-21(26)19(15-18)17-25/h6-9,14-15,22,24-27H,3-5,10-13,16-17H2,1-2H3