N-octyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]octan-1-amine

Systemtic Name: N-octyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]octan-1-amine Openeye Name: N-[3-[4-(2-isopropylindolizin-1-yl)sulfonylphenoxy]propyl]-N-octyl-octan-1-amine CAS Name: N-octyl-N-[3-[4-[(2-propan-2-yl-1-indolizinyl)sulfonyl]phenoxy]propyl]-1-octanamine IUPAC Name: N-octyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]octan-1-amine Traditional Name: 3-[4-(2-isopropylindolizin-1-yl)sulfonylphenoxy]propyl-dioctyl-amine Formula: C36H56N2O3S MolecularWeight: 596.90644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)CCCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2C(C)C

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)CCCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2C(C)C

InChI

InChI=1S/C36H56N2O3S/c1-5-7-9-11-13-16-25-37(26-17-14-12-10-8-6-2)27-19-29-41-32-21-23-33(24-22-32)42(39,40)36-34(31(3)4)30-38-28-18-15-20-35(36)38/h15,18,20-24,28,30-31H,5-14,16-17,19,25-27,29H2,1-4H3