N-butyl-N-[3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine

Systemtic Name: N-butyl-N-[3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine Openeye Name: N-butyl-N-[3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine CAS Name: N-butyl-N-[3-[4-[(2-methyl-1-indolizinyl)sulfonyl]phenoxy]propyl]-1-butanamine IUPAC Name: N-butyl-N-[3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine Traditional Name: dibutyl-[3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propyl]amine Formula: C26H36N2O3S MolecularWeight: 456.64064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2C

Isomeric SMILES

CCCCN(CCCC)CCCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2C

InChI

InChI=1S/C26H36N2O3S/c1-4-6-16-27(17-7-5-2)18-10-20-31-23-12-14-24(15-13-23)32(29,30)26-22(3)21-28-19-9-8-11-25(26)28/h8-9,11-15,19,21H,4-7,10,16-18,20H2,1-3H3