N-butyl-N-[3-[4-(2-ethylindolizin-1-yl)sulfonyl-2,6-dimethyl-phenoxy]propyl]butan-1-amine

Systemtic Name: N-butyl-N-[3-[4-(2-ethylindolizin-1-yl)sulfonyl-2,6-dimethyl-phenoxy]propyl]butan-1-amine Openeye Name: N-butyl-N-[3-[4-(2-ethylindolizin-1-yl)sulfonyl-2,6-dimethyl-phenoxy]propyl]butan-1-amine CAS Name: N-butyl-N-[3-[4-[(2-ethyl-1-indolizinyl)sulfonyl]-2,6-dimethylphenoxy]propyl]-1-butanamine IUPAC Name: N-butyl-N-[3-[4-(2-ethylindolizin-1-yl)sulfonyl-2,6-dimethylphenoxy]propyl]butan-1-amine Traditional Name: dibutyl-[3-[4-(2-ethylindolizin-1-yl)sulfonyl-2,6-dimethyl-phenoxy]propyl]amine Formula: C29H42N2O3S MolecularWeight: 498.72038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC1=C(C=C(C=C1C)S(=O)(=O)C2=C3C=CC=CN3C=C2CC)C

Isomeric SMILES

CCCCN(CCCC)CCCOC1=C(C=C(C=C1C)S(=O)(=O)C2=C3C=CC=CN3C=C2CC)C

InChI

InChI=1S/C29H42N2O3S/c1-6-9-15-30(16-10-7-2)17-13-19-34-28-23(4)20-26(21-24(28)5)35(32,33)29-25(8-3)22-31-18-12-11-14-27(29)31/h11-12,14,18,20-22H,6-10,13,15-17,19H2,1-5H3