N'-[1-[2-[3-(4-tert-butylphenyl)propylsulfonyl]phenyl]ethyl]-N-propyl-propane-1,3-diamine

Systemtic Name: N'-[1-[2-[3-(4-tert-butylphenyl)propylsulfonyl]phenyl]ethyl]-N-propyl-propane-1,3-diamine Openeye Name: N'-[1-[2-[3-(4-tert-butylphenyl)propylsulfonyl]phenyl]ethyl]-N-propyl-propane-1,3-diamine CAS Name: N'-[1-[2-[3-(4-tert-butylphenyl)propylsulfonyl]phenyl]ethyl]-N-propylpropane-1,3-diamine IUPAC Name: N'-[1-[2-[3-(4-tert-butylphenyl)propylsulfonyl]phenyl]ethyl]-N-propylpropane-1,3-diamine Traditional Name: 1-[2-[3-(4-tert-butylphenyl)propylsulfonyl]phenyl]ethyl-[3-(propylamino)propyl]amine Formula: C27H42N2O2S MolecularWeight: 458.69958

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCCNC(C)C1=CC=CC=C1S(=O)(=O)CCCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCNCCCNC(C)C1=CC=CC=C1S(=O)(=O)CCCC2=CC=C(C=C2)C(C)(C)C

InChI

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