N',N'-dibutyl-N-[[4-(3-phenylpropylsulfonyl)phenyl]methyl]propane-1,3-diamine

Systemtic Name: N',N'-dibutyl-N-[[4-(3-phenylpropylsulfonyl)phenyl]methyl]propane-1,3-diamine Openeye Name: N',N'-dibutyl-N-[[4-(3-phenylpropylsulfonyl)phenyl]methyl]propane-1,3-diamine CAS Name: N',N'-dibutyl-N-[[4-(3-phenylpropylsulfonyl)phenyl]methyl]propane-1,3-diamine IUPAC Name: N',N'-dibutyl-N-[[4-(3-phenylpropylsulfonyl)phenyl]methyl]propane-1,3-diamine Traditional Name: dibutyl-[3-[[4-(3-phenylpropylsulfonyl)benzyl]amino]propyl]amine Formula: C27H42N2O2S MolecularWeight: 458.69958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCNCC1=CC=C(C=C1)S(=O)(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CCCCN(CCCC)CCCNCC1=CC=C(C=C1)S(=O)(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C27H42N2O2S/c1-3-5-20-29(21-6-4-2)22-11-19-28-24-26-15-17-27(18-16-26)32(30,31)23-10-14-25-12-8-7-9-13-25/h7-9,12-13,15-18,28H,3-6,10-11,14,19-24H2,1-2H3