4-[[3-methyl-2-(phenethylsulfinylmethyl)-1-benzofuran-4-yl]oxy]-1-pyridin-3-yl-butan-1-amine

Systemtic Name: 4-[[3-methyl-2-(phenethylsulfinylmethyl)-1-benzofuran-4-yl]oxy]-1-pyridin-3-yl-butan-1-amine Openeye Name: 4-[3-methyl-2-(phenethylsulfinylmethyl)benzofuran-4-yl]oxy-1-(3-pyridyl)butan-1-amine CAS Name: 4-[[3-methyl-2-(phenethylsulfinylmethyl)-4-benzofuranyl]oxy]-1-(3-pyridinyl)-1-butanamine IUPAC Name: 4-[[3-methyl-2-(phenethylsulfinylmethyl)-1-benzofuran-4-yl]oxy]-1-pyridin-3-ylbutan-1-amine Traditional Name: [4-[3-methyl-2-(phenethylsulfinylmethyl)benzofuran-4-yl]oxy-1-(3-pyridyl)butyl]amine Formula: C27H30N2O3S MolecularWeight: 462.6037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCCC(C3=CN=CC=C3)N)CS(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCC(C3=CN=CC=C3)N)CS(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3S/c1-20-26(19-33(30)17-14-21-8-3-2-4-9-21)32-25-13-5-12-24(27(20)25)31-16-7-11-23(28)22-10-6-15-29-18-22/h2-6,8-10,12-13,15,18,23H,7,11,14,16-17,19,28H2,1H3