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

Systemtic Name: N-butyl-N-[3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine Openeye Name: N-butyl-N-[3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine CAS Name: N-butyl-N-[3-[4-[(2-butyl-1-indolizinyl)sulfonyl]phenoxy]propyl]-1-butanamine IUPAC Name: N-butyl-N-[3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine Traditional Name: dibutyl-[3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]propyl]amine Formula: C29H42N2O3S MolecularWeight: 498.72038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN2C=CC=CC2=C1S(=O)(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC

Isomeric SMILES

CCCCC1=CN2C=CC=CC2=C1S(=O)(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC

InChI

InChI=1S/C29H42N2O3S/c1-4-7-13-25-24-31-22-11-10-14-28(31)29(25)35(32,33)27-17-15-26(16-18-27)34-23-12-21-30(19-8-5-2)20-9-6-3/h10-11,14-18,22,24H,4-9,12-13,19-21,23H2,1-3H3